5-(butanoylamino)-N-[(4-fluorophenyl)methyl]-2-[4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: 5-(butanoylamino)-N-[(4-fluorophenyl)methyl]-2-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-5-(butanoylamino)-N-[(4-fluorophenyl)methyl]benzamide CAS Name: N-[(4-fluorophenyl)methyl]-5-(1-oxobutylamino)-2-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-[(4-fluorophenyl)methyl]benzamide Traditional Name: 2-(4-benzylpiperidino)-5-butyramido-N-(4-fluorobenzyl)benzamide Formula: C30H34FN3O2 MolecularWeight: 487.608263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)N2CCC(CC2)CC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C30H34FN3O2/c1-2-6-29(35)33-26-13-14-28(27(20-26)30(36)32-21-24-9-11-25(31)12-10-24)34-17-15-23(16-18-34)19-22-7-4-3-5-8-22/h3-5,7-14,20,23H,2,6,15-19,21H2,1H3,(H,32,36)(H,33,35)