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

Systemtic Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-5-nitro-pyridine Openeye Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidyl]-5-nitro-pyridine CAS Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]-5-nitropyridine IUPAC Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-5-nitropyridine Traditional Name: 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidino]-5-nitro-pyridine Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-26-18-11-16(12-19(13-18)27-2)4-3-15-7-9-22(10-8-15)20-6-5-17(14-21-20)23(24)25/h5-6,11-15H,3-4,7-10H2,1-2H3