1-[2-[(2,6-dimethyl-3-nitro-pyridin-4-yl)amino]ethyl]-2-(phenylmethyl)piperidin-4-ol

Systemtic Name: 1-[2-[(2,6-dimethyl-3-nitro-pyridin-4-yl)amino]ethyl]-2-(phenylmethyl)piperidin-4-ol Openeye Name: 2-benzyl-1-[2-[(2,6-dimethyl-3-nitro-4-pyridyl)amino]ethyl]piperidin-4-ol CAS Name: 1-[2-[(2,6-dimethyl-3-nitro-4-pyridinyl)amino]ethyl]-2-(phenylmethyl)-4-piperidinol IUPAC Name: 2-benzyl-1-[2-[(2,6-dimethyl-3-nitropyridin-4-yl)amino]ethyl]piperidin-4-ol Traditional Name: 2-benzyl-1-[2-[(2,6-dimethyl-3-nitro-4-pyridyl)amino]ethyl]piperidin-4-ol Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)NCCN2CCC(CC2CC3=CC=CC=C3)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=NC(=C(C(=C1)NCCN2CCC(CC2CC3=CC=CC=C3)O)[N+](=O)[O-])C

InChI

InChI=1S/C21H28N4O3/c1-15-12-20(21(25(27)28)16(2)23-15)22-9-11-24-10-8-19(26)14-18(24)13-17-6-4-3-5-7-17/h3-7,12,18-19,26H,8-11,13-14H2,1-2H3,(H,22,23)