(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-[(1S)-1-methylpropyl]phenyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-[(2S)-butan-2-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-[(1S)-1-methylpropyl]phenyl]-1-(2-pyrimidyl)nipecotamide Formula: C20H26N4O MolecularWeight: 338.44664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O/c1-3-15(2)16-7-9-18(10-8-16)23-19(25)17-6-4-13-24(14-17)20-21-11-5-12-22-20/h5,7-12,15,17H,3-4,6,13-14H2,1-2H3,(H,23,25)/t15-,17-/m0/s1