(3S)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxidanylidene-1-(3-phenylpropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxidanylidene-1-(3-phenylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide CAS Name: (3S)-N-[[1-(2-methoxyphenyl)-4-pyrazolyl]methyl]-6-oxo-1-(3-phenylpropyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-phenylpropyl)nipecotamide Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=C(C=N2)CNC(=O)C3CCC(=O)N(C3)CCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C=N2)CNC(=O)[C@H]3CCC(=O)N(C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-33-24-12-6-5-11-23(24)30-18-21(17-28-30)16-27-26(32)22-13-14-25(31)29(19-22)15-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-12,17-18,22H,7,10,13-16,19H2,1H3,(H,27,32)/t22-/m0/s1