N-[(4-methylphenyl)methyl]-12-oxidanylidene-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-12-oxidanylidene-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-propyl-N-(p-tolylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-12-oxo-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-12-oxo-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(4-methylbenzyl)-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2/c1-3-14-27(17-19-10-8-18(2)9-11-19)24(29)20-12-13-21-22(16-20)26-23-7-5-4-6-15-28(23)25(21)30/h8-13,16H,3-7,14-15,17H2,1-2H3