N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-2-(2-methylphenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1,3-diketo-2-(o-tolyl)isoindoline-5-carboxamide Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC(C)C4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC(C)C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C27H22N4O3/c1-17-5-3-4-6-24(17)31-26(33)22-12-9-20(15-23(22)27(31)34)25(32)29-18(2)19-7-10-21(11-8-19)30-14-13-28-16-30/h3-16,18H,1-2H3,(H,29,32)