12-oxidanylidene-N-(2-pyrrolidin-1-ylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: 12-oxidanylidene-N-(2-pyrrolidin-1-ylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-(2-pyrrolidin-1-ylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: 12-oxo-N-[2-(1-pyrrolidinyl)phenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: 12-oxo-N-(2-pyrrolidin-1-ylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(2-pyrrolidinophenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4N5CCCC5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4N5CCCC5)C(=O)N2CC1

InChI

InChI=1S/C24H26N4O2/c29-23(26-19-8-3-4-9-21(19)27-13-6-7-14-27)17-11-12-18-20(16-17)25-22-10-2-1-5-15-28(22)24(18)30/h3-4,8-9,11-12,16H,1-2,5-7,10,13-15H2,(H,26,29)