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

Systemtic Name: (4-azanyl-3-nitro-phenyl)-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methanone Openeye Name: (4-amino-3-nitro-phenyl)-[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidyl]methanone CAS Name: (4-amino-3-nitrophenyl)-[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]methanone IUPAC Name: (4-amino-3-nitrophenyl)-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methanone Traditional Name: (4-amino-3-nitro-phenyl)-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidino]methanone Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5/c1-29-18-11-16(12-19(14-18)30-2)4-3-15-7-9-24(10-8-15)22(26)17-5-6-20(23)21(13-17)25(27)28/h5-6,11-15H,3-4,7-10,23H2,1-2H3