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

Systemtic Name: ethyl (3Z)-3-[[[4-(azepan-1-ylmethyl)phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1H-indole-6-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C31H33N3O3 MolecularWeight: 495.61202

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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)CN5CCCCCC5)C(=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C31H33N3O3/c1-2-37-31(36)24-14-17-26-27(20-24)33-30(35)28(26)29(23-10-6-5-7-11-23)32-25-15-12-22(13-16-25)21-34-18-8-3-4-9-19-34/h5-7,10-17,20,32H,2-4,8-9,18-19,21H2,1H3,(H,33,35)/b29-28-