(3S)-1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)-N-phenyl-nipecotamide Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O2/c1-12-15(16(19)22(2)21-12)18(25)23-10-6-7-13(11-23)17(24)20-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-11H2,1-2H3,(H,20,24)/t13-/m0/s1