2,3-dimethyl-5-nitro-6-phenoxy-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]pyridin-4-amine

Systemtic Name: 2,3-dimethyl-5-nitro-6-phenoxy-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]pyridin-4-amine Openeye Name: N-[2-(1-benzyl-4-piperidyl)ethyl]-2,3-dimethyl-5-nitro-6-phenoxy-pyridin-4-amine CAS Name: 2,3-dimethyl-5-nitro-6-phenoxy-N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-4-pyridinamine IUPAC Name: N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dimethyl-5-nitro-6-phenoxypyridin-4-amine Traditional Name: 2-(1-benzyl-4-piperidyl)ethyl-(2,3-dimethyl-5-nitro-6-phenoxy-4-pyridyl)amine Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N=C1C)OC2=CC=CC=C2)[N+](=O)[O-])NCCC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(N=C1C)OC2=CC=CC=C2)[N+](=O)[O-])NCCC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c1-20-21(2)29-27(34-24-11-7-4-8-12-24)26(31(32)33)25(20)28-16-13-22-14-17-30(18-15-22)19-23-9-5-3-6-10-23/h3-12,22H,13-19H2,1-2H3,(H,28,29)