N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-[(1S)-1-methylpropyl]phenyl]piperidine-4-carboxamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-[(1S)-1-methylpropyl]phenyl]isonipecotamide Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC(=CC(=N3)C)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H30N4O/c1-5-15(2)18-6-8-20(9-7-18)25-21(27)19-10-12-26(13-11-19)22-23-16(3)14-17(4)24-22/h6-9,14-15,19H,5,10-13H2,1-4H3,(H,25,27)/t15-/m0/s1