N-[2-(4-ethylphenyl)ethyl]-4-(phenylmethyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-ethylphenyl)ethyl]-4-(phenylmethyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-[2-(4-ethylphenyl)ethyl]-4-(phenylmethyl)-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-pyrimidyl)isonipecotamide Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCNC(=O)C2(CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)CCNC(=O)C2(CCN(CC2)C3=NC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O/c1-2-22-9-11-23(12-10-22)13-18-28-25(32)27(21-24-7-4-3-5-8-24)14-19-31(20-15-27)26-29-16-6-17-30-26/h3-12,16-17H,2,13-15,18-21H2,1H3,(H,28,32)