N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-[(phenylmethyl)amino]ethylidene]isoindol-1-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-[(phenylmethyl)amino]ethylidene]isoindol-1-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-oxo-ethylidene]isoindol-1-yl]-3,4-dimethoxy-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-oxo-2-[(phenylmethyl)amino]ethylidene]-1-isoindolyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-3,4-dimethoxybenzamide Traditional Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-keto-ethylidene]isoindol-1-yl]-3,4-dimethoxy-benzamide Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C42)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=N/C(=C(/C#N)\C(=O)NCC3=CC=CC=C3)/C4=CC=CC=C42)OC

InChI

InChI=1S/C27H22N4O4/c1-34-22-13-12-18(14-23(22)35-2)26(32)31-25-20-11-7-6-10-19(20)24(30-25)21(15-28)27(33)29-16-17-8-4-3-5-9-17/h3-14H,16H2,1-2H3,(H,29,33)(H,30,31,32)/b24-21-