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

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-ethyl-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-ethyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-N-ethyl-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4/c1-4-28(17-18-10-13-22(33-5-2)23(15-18)32-3)25(30)19-11-12-20-21(16-19)27-24-9-7-6-8-14-29(24)26(20)31/h10-13,15-16H,4-9,14,17H2,1-3H3