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

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)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 (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)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 (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C28H22N4O3 MolecularWeight: 462.49928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)OCC4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N2C1

InChI

InChI=1S/C28H22N4O3/c33-27-23-14-13-20(16-24(23)29-25-12-7-15-31(25)27)28(34)35-18-21-17-32(22-10-5-2-6-11-22)30-26(21)19-8-3-1-4-9-19/h1-6,8-11,13-14,16-17H,7,12,15,18H2