(3Z)-3-[[[4-(azepan-1-ylmethyl)phenyl]amino]-phenyl-methylidene]-5,6-diethoxy-1H-indol-2-one

Systemtic Name: (3Z)-3-[[[4-(azepan-1-ylmethyl)phenyl]amino]-phenyl-methylidene]-5,6-diethoxy-1H-indol-2-one Openeye Name: (3Z)-3-[[4-(azepan-1-ylmethyl)anilino]-phenyl-methylene]-5,6-diethoxy-indolin-2-one CAS Name: (3Z)-3-[[4-(1-azepanylmethyl)anilino]-phenylmethylidene]-5,6-diethoxy-1H-indol-2-one IUPAC Name: (3Z)-3-[[4-(azepan-1-ylmethyl)anilino]-phenylmethylidene]-5,6-diethoxy-1H-indol-2-one Traditional Name: (3Z)-3-[[4-(azepan-1-ylmethyl)anilino]-phenyl-methylene]-5,6-diethoxy-oxindole Formula: C32H37N3O3 MolecularWeight: 511.65448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C3=CC=CC=C3)NC4=CC=C(C=C4)CN5CCCCCC5)C(=O)N2)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)/C(=C(\C3=CC=CC=C3)/NC4=CC=C(C=C4)CN5CCCCCC5)/C(=O)N2)OCC

InChI

InChI=1S/C32H37N3O3/c1-3-37-28-20-26-27(21-29(28)38-4-2)34-32(36)30(26)31(24-12-8-7-9-13-24)33-25-16-14-23(15-17-25)22-35-18-10-5-6-11-19-35/h7-9,12-17,20-21,33H,3-6,10-11,18-19,22H2,1-2H3,(H,34,36)/b31-30-