N-(4-butylphenyl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(4-butylphenyl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-anilinopyrimidin-2-yl)-N-(4-butylphenyl)piperidine-4-carboxamide CAS Name: 1-(4-anilino-2-pyrimidinyl)-N-(4-butylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-anilinopyrimidin-2-yl)-N-(4-butylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-anilinopyrimidin-2-yl)-N-(4-butylphenyl)isonipecotamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O/c1-2-3-7-20-10-12-23(13-11-20)29-25(32)21-15-18-31(19-16-21)26-27-17-14-24(30-26)28-22-8-5-4-6-9-22/h4-6,8-14,17,21H,2-3,7,15-16,18-19H2,1H3,(H,29,32)(H,27,28,30)