4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidyl]-3-nitro-benzonitrile CAS Name: 4-[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidino]-3-nitro-benzonitrile Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-])OC

InChI

InChI=1S/C22H25N3O4/c1-28-19-11-17(12-20(14-19)29-2)4-3-16-7-9-24(10-8-16)21-6-5-18(15-23)13-22(21)25(26)27/h5-6,11-14,16H,3-4,7-10H2,1-2H3