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

Systemtic Name: N-(2-methylphenyl)-12-oxidanylidene-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(o-tolyl)-12-oxo-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(2-methylphenyl)-12-oxo-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(2-methylphenyl)-12-oxo-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(o-tolyl)-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC=C1C)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

Isomeric SMILES

CCCN(C1=CC=CC=C1C)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C24H27N3O2/c1-3-14-26(21-10-7-6-9-17(21)2)23(28)18-12-13-19-20(16-18)25-22-11-5-4-8-15-27(22)24(19)29/h6-7,9-10,12-13,16H,3-5,8,11,14-15H2,1-2H3