N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(2-methoxy-5-methyl-benzyl)-N-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN(C)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN(C)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C24H27N3O3/c1-16-8-11-21(30-3)18(13-16)15-26(2)23(28)17-9-10-19-20(14-17)25-22-7-5-4-6-12-27(22)24(19)29/h8-11,13-14H,4-7,12,15H2,1-3H3