N-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxamide

Systemtic Name: N-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxamide Openeye Name: N-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-1-oxo-4-(p-tolyl)isochromene-3-carboxamide CAS Name: N-[3-(2,5-dimethyl-1-pyrrolyl)phenyl]-4-(4-methylphenyl)-1-oxo-2-benzopyran-3-carboxamide IUPAC Name: N-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide Traditional Name: N-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-1-keto-4-(p-tolyl)isochromene-3-carboxamide Formula: C29H24N2O3 MolecularWeight: 448.51246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NC4=CC=CC(=C4)N5C(=CC=C5C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NC4=CC=CC(=C4)N5C(=CC=C5C)C

InChI

InChI=1S/C29H24N2O3/c1-18-11-15-21(16-12-18)26-24-9-4-5-10-25(24)29(33)34-27(26)28(32)30-22-7-6-8-23(17-22)31-19(2)13-14-20(31)3/h4-17H,1-3H3,(H,30,32)