618070-08-9
3-(4-BROMOBENZOYL)-2-METHYLPYRROLO(2,1-A)ISOQUINOLINE-1-CARBONITRILE
Name3-(4-BROMOBENZOYL)-2-METHYLPYRROLO(2,1-A)ISOQUINOLINE-1-CARBONITRILE
1Identification
【Name】
3-(4-BROMOBENZOYL)-2-METHYLPYRROLO(2,1-A)ISOQUINOLINE-1-CARBONITRILE
【CAS】
【MDL】
MFCD03763417
【English Synonyms】
【Formula】
C21 H13 Br N2 O
【MolWeight】
389.251
【Inchi】
InChI=1S/C21H13BrN2O/c1-13-18(12-23)20-17-5-3-2-4-14(17)10-11-24(20)19(13)21(25)15-6-8-16(22)9-7-15/h2-11H,1H3
【InChIKey】
InChIKey=CNKAQMVKYNHIQR-UHFFFAOYSA-N
【SMILES】
Cc1c(c2c3ccccc3ccn2c1C(=O)c4ccc(cc4)Br)C#N
【MOL File】
3-(4-BROMOBENZOYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-BROMOBENZOYL)-2-METHYLPYRROLO(2,1-A)ISOQUINOLINE-1-CARBONITRILE.cml