(3E)-3-[[[4-(azepan-1-ylmethyl)phenyl]amino]-phenyl-methylidene]-5-nitro-1H-indol-2-one

Systemtic Name: (3E)-3-[[[4-(azepan-1-ylmethyl)phenyl]amino]-phenyl-methylidene]-5-nitro-1H-indol-2-one Openeye Name: (3E)-3-[[4-(azepan-1-ylmethyl)anilino]-phenyl-methylene]-5-nitro-indolin-2-one CAS Name: (3E)-3-[[4-(1-azepanylmethyl)anilino]-phenylmethylidene]-5-nitro-1H-indol-2-one IUPAC Name: (3E)-3-[[4-(azepan-1-ylmethyl)anilino]-phenylmethylidene]-5-nitro-1H-indol-2-one Traditional Name: (3E)-3-[[4-(azepan-1-ylmethyl)anilino]-phenyl-methylene]-5-nitro-oxindole Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(C=C2)NC(=C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(C=C2)N/C(=C/3\C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)/C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c33-28-26(24-18-23(32(34)35)14-15-25(24)30-28)27(21-8-4-3-5-9-21)29-22-12-10-20(11-13-22)19-31-16-6-1-2-7-17-31/h3-5,8-15,18,29H,1-2,6-7,16-17,19H2,(H,30,33)/b27-26+