(3S)-N-(3-chloranyl-4-methyl-phenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3-chloranyl-4-methyl-phenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-(3-chloro-4-methyl-phenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-(3-chloro-4-methylphenyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-chloro-4-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-(3-chloro-4-methyl-phenyl)-1-(2-pyrimidyl)nipecotamide Formula: C17H19ClN4O MolecularWeight: 330.81196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CC=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H]2CCCN(C2)C3=NC=CC=N3)Cl

InChI

InChI=1S/C17H19ClN4O/c1-12-5-6-14(10-15(12)18)21-16(23)13-4-2-9-22(11-13)17-19-7-3-8-20-17/h3,5-8,10,13H,2,4,9,11H2,1H3,(H,21,23)/t13-/m0/s1