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

Systemtic Name: N-[(3-methoxy-4-propoxy-phenyl)methyl]-12-oxidanylidene-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-[(3-methoxy-4-propoxy-phenyl)methyl]-12-oxo-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[(3-methoxy-4-propoxyphenyl)methyl]-12-oxo-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-[(3-methoxy-4-propoxyphenyl)methyl]-12-oxo-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(3-methoxy-4-propoxy-benzyl)-N-propyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O4/c1-4-14-30(19-20-10-13-24(35-16-5-2)25(17-20)34-3)27(32)21-11-12-22-23(18-21)29-26-9-7-6-8-15-31(26)28(22)33/h10-13,17-18H,4-9,14-16,19H2,1-3H3