N-[4-(azepan-1-yl)but-2-ynyl]-N-methyl-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)but-2-ynyl]-N-methyl-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide Openeye Name: N-[4-(azepan-1-yl)but-2-ynyl]-N-methyl-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide CAS Name: N-[4-(1-azepanyl)but-2-ynyl]-N-methyl-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide IUPAC Name: N-[4-(azepan-1-yl)but-2-ynyl]-N-methyl-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide Traditional Name: N-[4-(azepan-1-yl)but-2-ynyl]-6-keto-N-methyl-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CCN1CCCCCC1)C(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

Isomeric SMILES

CN(CC#CCN1CCCCCC1)C(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-27(15-8-9-18-28-16-6-2-3-7-17-28)24(31)29-21-13-5-4-11-19(21)23(30)26-20-12-10-14-25-22(20)29/h4-5,10-14H,2-3,6-7,15-18H2,1H3,(H,26,30)