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

Systemtic Name: (4-phenylmethoxyphenyl) 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: (4-benzyloxyphenyl) 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 (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 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 (4-benzoxyphenyl) ester Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)N2CC1

InChI

InChI=1S/C27H24N2O4/c30-26-23-15-10-20(17-24(23)28-25-9-5-2-6-16-29(25)26)27(31)33-22-13-11-21(12-14-22)32-18-19-7-3-1-4-8-19/h1,3-4,7-8,10-15,17H,2,5-6,9,16,18H2