methyl (3Z)-3-[[[4-(1H-imidazol-5-ylmethyl)phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1H-indole-6-carboxylate

Systemtic Name: methyl (3Z)-3-[[[4-(1H-imidazol-5-ylmethyl)phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1H-indole-6-carboxylate Openeye Name: methyl (3Z)-3-[[4-(1H-imidazol-5-ylmethyl)anilino]-phenyl-methylene]-2-oxo-indoline-6-carboxylate CAS Name: (3Z)-3-[[4-(1H-imidazol-5-ylmethyl)anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl (3Z)-3-[[4-(1H-imidazol-5-ylmethyl)anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylate Traditional Name: (3Z)-3-[[4-(1H-imidazol-5-ylmethyl)anilino]-phenyl-methylene]-2-keto-indoline-6-carboxylic acid methyl ester Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C(C3=CC=CC=C3)NC4=CC=C(C=C4)CC5=CN=CN5)C(=O)N2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)/C(=C(\C3=CC=CC=C3)/NC4=CC=C(C=C4)CC5=CN=CN5)/C(=O)N2

InChI

InChI=1S/C27H22N4O3/c1-34-27(33)19-9-12-22-23(14-19)31-26(32)24(22)25(18-5-3-2-4-6-18)30-20-10-7-17(8-11-20)13-21-15-28-16-29-21/h2-12,14-16,30H,13H2,1H3,(H,28,29)(H,31,32)/b25-24-