(3S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-1-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-N-[[4-(2-methyl-1-imidazolyl)phenyl]methyl]-6-oxo-1-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-[4-(2-methylimidazol-1-yl)benzyl]-1-(2-pyridylmethyl)nipecotamide Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)CNC(=O)C3CCC(=O)N(C3)CC4=CC=CC=N4

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)CNC(=O)[C@H]3CCC(=O)N(C3)CC4=CC=CC=N4

InChI

InChI=1S/C23H25N5O2/c1-17-24-12-13-28(17)21-8-5-18(6-9-21)14-26-23(30)19-7-10-22(29)27(15-19)16-20-4-2-3-11-25-20/h2-6,8-9,11-13,19H,7,10,14-16H2,1H3,(H,26,30)/t19-/m0/s1