(3S)-N-(4-butoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-butoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-(4-butoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-(4-butoxyphenyl)-1-(4,6-dimethyl-2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-butoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(4-butoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)nipecotamide Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)C3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H30N4O2/c1-4-5-13-28-20-10-8-19(9-11-20)25-21(27)18-7-6-12-26(15-18)22-23-16(2)14-17(3)24-22/h8-11,14,18H,4-7,12-13,15H2,1-3H3,(H,25,27)/t18-/m0/s1