[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-phenethylpiperidin-1-yl)methanone

Systemtic Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-phenethylpiperidin-1-yl)methanone Openeye Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-phenethyl-1-piperidyl)methanone CAS Name: [4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-(4-phenethyl-1-piperidinyl)methanone IUPAC Name: [4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-(4-phenethylpiperidin-1-yl)methanone Traditional Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-phenethylpiperidino)methanone Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCC(CC3)CCC4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCC(CC3)CCC4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O3/c1-19-25(30(32)33)20(2)29(27-19)18-23-10-12-24(13-11-23)26(31)28-16-14-22(15-17-28)9-8-21-6-4-3-5-7-21/h3-7,10-13,22H,8-9,14-18H2,1-2H3