N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-nitro-pyridin-2-amine

Systemtic Name: N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-nitro-pyridin-2-amine Openeye Name: N-[4-[(3-methyl-1-piperidyl)methyl]phenyl]-5-nitro-pyridin-2-amine CAS Name: N-[4-[(3-methyl-1-piperidinyl)methyl]phenyl]-5-nitro-2-pyridinamine IUPAC Name: N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-nitropyridin-2-amine Traditional Name: [4-[(3-methylpiperidino)methyl]phenyl]-(5-nitro-2-pyridyl)amine Formula: C18H22N4O2 MolecularWeight: 326.39288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC=C(C=C2)NC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)CC2=CC=C(C=C2)NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O2/c1-14-3-2-10-21(12-14)13-15-4-6-16(7-5-15)20-18-9-8-17(11-19-18)22(23)24/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,19,20)