(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxidanylidene-1-phenethyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxidanylidene-1-phenethyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-phenethyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(1,5-dimethyl-4-pyrazolyl)methyl]-6-oxo-1-phenethyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxo-1-phenethylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-keto-1-phenethyl-nipecotamide Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CNC(=O)C2CCC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1C)CNC(=O)[C@H]2CCC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2/c1-15-18(13-22-23(15)2)12-21-20(26)17-8-9-19(25)24(14-17)11-10-16-6-4-3-5-7-16/h3-7,13,17H,8-12,14H2,1-2H3,(H,21,26)/t17-/m0/s1