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

Systemtic Name: methyl (3Z)-2-oxidanylidene-3-[[[4-[(3-oxidanylidenepiperazin-1-yl)methyl]phenyl]amino]-phenyl-methylidene]-1H-indole-6-carboxylate Openeye Name: methyl (3Z)-2-oxo-3-[[4-[(3-oxopiperazin-1-yl)methyl]anilino]-phenyl-methylene]indoline-6-carboxylate CAS Name: (3Z)-2-oxo-3-[[4-[(3-oxo-1-piperazinyl)methyl]anilino]-phenylmethylidene]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl (3Z)-2-oxo-3-[[4-[(3-oxopiperazin-1-yl)methyl]anilino]-phenylmethylidene]-1H-indole-6-carboxylate Traditional Name: (3Z)-2-keto-3-[[4-[(3-ketopiperazino)methyl]anilino]-phenyl-methylene]indoline-6-carboxylic acid methyl ester Formula: C28H26N4O4 MolecularWeight: 482.53044

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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)CN5CCNC(=O)C5)C(=O)N2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)/C(=C(\C3=CC=CC=C3)/NC4=CC=C(C=C4)CN5CCNC(=O)C5)/C(=O)N2

InChI

InChI=1S/C28H26N4O4/c1-36-28(35)20-9-12-22-23(15-20)31-27(34)25(22)26(19-5-3-2-4-6-19)30-21-10-7-18(8-11-21)16-32-14-13-29-24(33)17-32/h2-12,15,30H,13-14,16-17H2,1H3,(H,29,33)(H,31,34)/b26-25-