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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H30N4O2/c1-4-5-14-28-20-8-6-19(7-9-20)25-21(27)18-10-12-26(13-11-18)22-23-16(2)15-17(3)24-22/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,25,27)