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

Systemtic Name: (2-methoxy-4-methyl-phenyl) 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: (2-methoxy-4-methyl-phenyl) 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate CAS Name: 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid (2-methoxy-4-methylphenyl) ester IUPAC Name: (2-methoxy-4-methylphenyl) 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Traditional Name: 12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid (2-methoxy-4-methyl-phenyl) ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-14-7-10-18(19(12-14)27-2)28-22(26)15-8-9-16-17(13-15)23-20-6-4-3-5-11-24(20)21(16)25/h7-10,12-13H,3-6,11H2,1-2H3