N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-3-pent-1-ynyl-benzamide

Systemtic Name: N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-3-pent-1-ynyl-benzamide Openeye Name: N-(1-isopentyl-4-piperidyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pent-1-ynyl-benzamide CAS Name: N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)-4-piperidinyl]-3-pent-1-ynylbenzamide IUPAC Name: N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-3-pent-1-ynylbenzamide Traditional Name: N-(1-isoamyl-4-piperidyl)-N-[4-(4-methoxyphenyl)benzyl]-3-pent-1-ynyl-benzamide Formula: C36H44N2O2 MolecularWeight: 536.74676

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC(=CC=C1)C(=O)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)OC)C4CCN(CC4)CCC(C)C

Isomeric SMILES

CCCC#CC1=CC(=CC=C1)C(=O)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)OC)C4CCN(CC4)CCC(C)C

InChI

InChI=1S/C36H44N2O2/c1-5-6-7-9-29-10-8-11-33(26-29)36(39)38(34-21-24-37(25-22-34)23-20-28(2)3)27-30-12-14-31(15-13-30)32-16-18-35(40-4)19-17-32/h8,10-19,26,28,34H,5-6,20-25,27H2,1-4H3