4-methyl-2-(4-nitropyrazol-1-yl)-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine

Systemtic Name: 4-methyl-2-(4-nitropyrazol-1-yl)-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidine CAS Name: 4-methyl-2-(4-nitro-1-pyrazolyl)-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidine Formula: C20H22N6O2 MolecularWeight: 378.42768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N6O2/c1-15-11-19(23-20(22-15)25-14-18(13-21-25)26(27)28)24-9-7-17(8-10-24)12-16-5-3-2-4-6-16/h2-6,11,13-14,17H,7-10,12H2,1H3