3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate CAS Name: 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Traditional Name: 12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCCCN4C5=CC=CC=C5NC4=O)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCCCN4C5=CC=CC=C5NC4=O)C(=O)N2CC1

InChI

InChI=1S/C24H24N4O4/c29-22-17-11-10-16(15-19(17)25-21-9-2-1-5-12-28(21)22)23(30)32-14-6-13-27-20-8-4-3-7-18(20)26-24(27)31/h3-4,7-8,10-11,15H,1-2,5-6,9,12-14H2,(H,26,31)