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

Systemtic Name: 2-chloranyl-5,6-dimethyl-3-nitro-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]pyridin-4-amine Openeye Name: N-[2-(1-benzyl-4-piperidyl)ethyl]-2-chloro-5,6-dimethyl-3-nitro-pyridin-4-amine CAS Name: 2-chloro-5,6-dimethyl-3-nitro-N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-4-pyridinamine IUPAC Name: N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-chloro-5,6-dimethyl-3-nitropyridin-4-amine Traditional Name: 2-(1-benzyl-4-piperidyl)ethyl-(2-chloro-5,6-dimethyl-3-nitro-4-pyridyl)amine Formula: C21H27ClN4O2 MolecularWeight: 402.91768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N=C1C)Cl)[N+](=O)[O-])NCCC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N=C1C)Cl)[N+](=O)[O-])NCCC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27ClN4O2/c1-15-16(2)24-21(22)20(26(27)28)19(15)23-11-8-17-9-12-25(13-10-17)14-18-6-4-3-5-7-18/h3-7,17H,8-14H2,1-2H3,(H,23,24)