N-[3-[1-cyano-2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]-2-methyl-benzamide

Systemtic Name: N-[3-[1-cyano-2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]-2-methyl-benzamide Openeye Name: N-[3-[1-cyano-2-[(4-methoxyphenyl)methylamino]-2-oxo-ethylidene]isoindol-1-yl]-2-methyl-benzamide CAS Name: N-[3-[1-cyano-2-[(4-methoxyphenyl)methylamino]-2-oxoethylidene]-1-isoindolyl]-2-methylbenzamide IUPAC Name: N-[3-[1-cyano-2-[(4-methoxyphenyl)methylamino]-2-oxoethylidene]isoindol-1-yl]-2-methylbenzamide Traditional Name: N-[3-[1-cyano-2-keto-2-(p-anisylamino)ethylidene]isoindol-1-yl]-2-methyl-benzamide Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=NC(=C(C#N)C(=O)NCC3=CC=C(C=C3)OC)C4=CC=CC=C42

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=NC(=C(C#N)C(=O)NCC3=CC=C(C=C3)OC)C4=CC=CC=C42

InChI

InChI=1S/C27H22N4O3/c1-17-7-3-4-8-20(17)27(33)31-25-22-10-6-5-9-21(22)24(30-25)23(15-28)26(32)29-16-18-11-13-19(34-2)14-12-18/h3-14H,16H2,1-2H3,(H,29,32)(H,30,31,33)