(3S)-N-(4-butoxyphenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-butoxyphenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-butoxyphenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-butoxyphenyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-butoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-butoxyphenyl)-1-(2-pyrimidyl)nipecotamide Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2/c1-2-3-14-26-18-9-7-17(8-10-18)23-19(25)16-6-4-13-24(15-16)20-21-11-5-12-22-20/h5,7-12,16H,2-4,6,13-15H2,1H3,(H,23,25)/t16-/m0/s1