[4-(2-cyanophenyl)phenyl]methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: 9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid [4-(2-cyanophenyl)benzyl] ester Formula: C26H19N3O3 MolecularWeight: 421.44736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)N2C1

InChI

InChI=1S/C26H19N3O3/c27-15-20-4-1-2-5-21(20)18-9-7-17(8-10-18)16-32-26(31)19-11-12-22-23(14-19)28-24-6-3-13-29(24)25(22)30/h1-2,4-5,7-12,14H,3,6,13,16H2