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

Systemtic Name: ethyl (3Z)-2-oxidanylidene-3-[[[4-[(3-oxidanylidenepiperazin-1-yl)methyl]phenyl]amino]-phenyl-methylidene]-1H-indole-6-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C29H28N4O4/c1-2-37-29(36)21-10-13-23-24(16-21)32-28(35)26(23)27(20-6-4-3-5-7-20)31-22-11-8-19(9-12-22)17-33-15-14-30-25(34)18-33/h3-13,16,31H,2,14-15,17-18H2,1H3,(H,30,34)(H,32,35)/b27-26-