(3S)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(2-methyl-5-pyrimidinyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(3-pyrazol-1-ylphenyl)nipecotamide Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)CN2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

CC1=NC=C(C=N1)CN2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C21H24N6O/c1-16-22-12-17(13-23-16)14-26-9-3-5-18(15-26)21(28)25-19-6-2-7-20(11-19)27-10-4-8-24-27/h2,4,6-8,10-13,18H,3,5,9,14-15H2,1H3,(H,25,28)/t18-/m0/s1