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

Systemtic Name: N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]-4-pentyl-benzamide Openeye Name: N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-N-(1-isopentyl-4-piperidyl)-4-pentyl-benzamide CAS Name: N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-N-[1-(3-methylbutyl)-4-piperidinyl]-4-pentylbenzamide IUPAC Name: N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide Traditional Name: 4-amyl-N-[4-(4-hydroxybut-1-ynyl)benzyl]-N-(1-isoamyl-4-piperidyl)benzamide Formula: C33H46N2O2 MolecularWeight: 502.73054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)C#CCCO)C3CCN(CC3)CCC(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)C#CCCO)C3CCN(CC3)CCC(C)C

InChI

InChI=1S/C33H46N2O2/c1-4-5-6-9-29-15-17-31(18-16-29)33(37)35(32-20-23-34(24-21-32)22-19-27(2)3)26-30-13-11-28(12-14-30)10-7-8-25-36/h11-18,27,32,36H,4-6,8-9,19-26H2,1-3H3