(3S)-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-N-phenyl-nipecotamide Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4O2/c23-17-10-8-15(9-11-17)20-19(13-24-26-20)22(29)27-12-4-5-16(14-27)21(28)25-18-6-2-1-3-7-18/h1-3,6-11,13,16H,4-5,12,14H2,(H,24,26)(H,25,28)/t16-/m0/s1