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

Systemtic Name: methyl (3Z)-2-oxidanylidene-3-[phenyl-[[4-(piperazin-1-ylmethyl)phenyl]amino]methylidene]-1H-indole-6-carboxylate Openeye Name: methyl (3Z)-2-oxo-3-[phenyl-[4-(piperazin-1-ylmethyl)anilino]methylene]indoline-6-carboxylate CAS Name: (3Z)-2-oxo-3-[phenyl-[4-(1-piperazinylmethyl)anilino]methylidene]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl (3Z)-2-oxo-3-[phenyl-[4-(piperazin-1-ylmethyl)anilino]methylidene]-1H-indole-6-carboxylate Traditional Name: (3Z)-2-keto-3-[phenyl-[4-(piperazinomethyl)anilino]methylene]indoline-6-carboxylic acid methyl ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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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)CN5CCNCC5)C(=O)N2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)/C(=C(\C3=CC=CC=C3)/NC4=CC=C(C=C4)CN5CCNCC5)/C(=O)N2

InChI

InChI=1S/C28H28N4O3/c1-35-28(34)21-9-12-23-24(17-21)31-27(33)25(23)26(20-5-3-2-4-6-20)30-22-10-7-19(8-11-22)18-32-15-13-29-14-16-32/h2-12,17,29-30H,13-16,18H2,1H3,(H,31,33)/b26-25-