methyl 4-[2,5-dimethyl-3-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[(4-oxo-2-phenyl-quinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[(4-oxo-2-phenyl-3-quinazolinyl)iminomethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]pyrrol-1-yl]benzoate Traditional Name: 4-[3-[(4-keto-2-phenyl-quinazolin-3-yl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C29H24N4O3 MolecularWeight: 476.52586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C29H24N4O3/c1-19-17-23(20(2)32(19)24-15-13-22(14-16-24)29(35)36-3)18-30-33-27(21-9-5-4-6-10-21)31-26-12-8-7-11-25(26)28(33)34/h4-18H,1-3H3