4-hexyl-N-[1-(phenylmethyl)piperidin-4-yl]-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide

Systemtic Name: 4-hexyl-N-[1-(phenylmethyl)piperidin-4-yl]-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide Openeye Name: N-(1-benzyl-4-piperidyl)-4-hexyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide CAS Name: 4-hexyl-N-[1-(phenylmethyl)-4-piperidinyl]-N-[[4-(5-pyrimidinyl)phenyl]methyl]benzamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-4-hexyl-N-[(4-pyrimidin-5-ylphenyl)methyl]benzamide Traditional Name: N-(1-benzyl-4-piperidyl)-4-hexyl-N-[4-(5-pyrimidyl)benzyl]benzamide Formula: C36H42N4O MolecularWeight: 546.74488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)C3=CN=CN=C3)C4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)C3=CN=CN=C3)C4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C36H42N4O/c1-2-3-4-6-9-29-12-18-33(19-13-29)36(41)40(27-31-14-16-32(17-15-31)34-24-37-28-38-25-34)35-20-22-39(23-21-35)26-30-10-7-5-8-11-30/h5,7-8,10-19,24-25,28,35H,2-4,6,9,20-23,26-27H2,1H3