methyl (3Z)-2-oxidanylidene-3-[phenyl-[[4-(piperazin-1-ylcarbamoyl)phenyl]amino]methylidene]-1H-indole-6-carboxylate

Systemtic Name: methyl (3Z)-2-oxidanylidene-3-[phenyl-[[4-(piperazin-1-ylcarbamoyl)phenyl]amino]methylidene]-1H-indole-6-carboxylate Openeye Name: methyl (3Z)-2-oxo-3-[phenyl-[4-(piperazin-1-ylcarbamoyl)anilino]methylene]indoline-6-carboxylate CAS Name: (3Z)-2-oxo-3-[[4-[oxo-(1-piperazinylamino)methyl]anilino]-phenylmethylidene]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl (3Z)-2-oxo-3-[phenyl-[4-(piperazin-1-ylcarbamoyl)anilino]methylidene]-1H-indole-6-carboxylate Traditional Name: (3Z)-2-keto-3-[phenyl-[4-(piperazinocarbamoyl)anilino]methylene]indoline-6-carboxylic acid methyl ester Formula: C28H27N5O4 MolecularWeight: 497.54508

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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)C(=O)NN5CCNCC5)C(=O)N2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)/C(=C(\C3=CC=CC=C3)/NC4=CC=C(C=C4)C(=O)NN5CCNCC5)/C(=O)N2

InChI

InChI=1S/C28H27N5O4/c1-37-28(36)20-9-12-22-23(17-20)31-27(35)24(22)25(18-5-3-2-4-6-18)30-21-10-7-19(8-11-21)26(34)32-33-15-13-29-14-16-33/h2-12,17,29-30H,13-16H2,1H3,(H,31,35)(H,32,34)/b25-24-