(3S)-N-(3-chloranyl-4-methyl-phenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3-chloranyl-4-methyl-phenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-(3-chloro-4-methyl-phenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-(3-chloro-4-methylphenyl)-1-(4,6-dimethyl-2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-chloro-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(3-chloro-4-methyl-phenyl)-1-(4,6-dimethylpyrimidin-2-yl)nipecotamide Formula: C19H23ClN4O MolecularWeight: 358.86512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O/c1-12-6-7-16(10-17(12)20)23-18(25)15-5-4-8-24(11-15)19-21-13(2)9-14(3)22-19/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,23,25)/t15-/m0/s1