(3S)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxidanylidene-1-(3-phenylpropyl)piperidine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2CCC(=O)N(C2)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)[C@H]2CCC(=O)N(C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2/c1-23-14-17(13-22-23)12-21-20(26)18-9-10-19(25)24(15-18)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,13-14,18H,5,8-12,15H2,1H3,(H,21,26)/t18-/m0/s1