(3S)-1-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)-N-phenyl-nipecotamide Formula: C24H25ClN4O2 MolecularWeight: 436.9339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H25ClN4O2/c1-17-21(22(25)29(27-17)15-18-9-4-2-5-10-18)24(31)28-14-8-11-19(16-28)23(30)26-20-12-6-3-7-13-20/h2-7,9-10,12-13,19H,8,11,14-16H2,1H3,(H,26,30)/t19-/m0/s1