(2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: (2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzyl-1-piperidyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one CAS Name: (2R)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperidin-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-1-one Traditional Name: (2R)-1-(4-benzylpiperidino)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1[C@H](C)C(=O)N2CCC(CC2)CC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O3/c1-14-19(24(26)27)15(2)23(21-14)16(3)20(25)22-11-9-18(10-12-22)13-17-7-5-4-6-8-17/h4-8,16,18H,9-13H2,1-3H3/t16-/m1/s1