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

Systemtic Name: methyl (3Z)-3-[[[4-(azepan-1-ylmethyl)phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1H-indole-6-carboxylate Openeye Name: methyl (3Z)-3-[[4-(azepan-1-ylmethyl)anilino]-phenyl-methylene]-2-oxo-indoline-6-carboxylate CAS Name: (3Z)-3-[[4-(1-azepanylmethyl)anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl (3Z)-3-[[4-(azepan-1-ylmethyl)anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylate Traditional Name: (3Z)-3-[[4-(azepan-1-ylmethyl)anilino]-phenyl-methylene]-2-keto-indoline-6-carboxylic acid methyl ester Formula: C30H31N3O3 MolecularWeight: 481.58544

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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)CN5CCCCCC5)C(=O)N2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)/C(=C(\C3=CC=CC=C3)/NC4=CC=C(C=C4)CN5CCCCCC5)/C(=O)N2

InChI

InChI=1S/C30H31N3O3/c1-36-30(35)23-13-16-25-26(19-23)32-29(34)27(25)28(22-9-5-4-6-10-22)31-24-14-11-21(12-15-24)20-33-17-7-2-3-8-18-33/h4-6,9-16,19,31H,2-3,7-8,17-18,20H2,1H3,(H,32,34)/b28-27-