N-[4-[4-[2-(2-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]octanamide

Systemtic Name: N-[4-[4-[2-(2-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]octanamide Openeye Name: N-[4-[4-[2-(o-tolyl)acetyl]piperazin-1-yl]phenyl]octanamide CAS Name: N-[4-[4-[2-(2-methylphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]octanamide IUPAC Name: N-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]octanamide Traditional Name: N-[4-[4-[2-(o-tolyl)acetyl]piperazino]phenyl]caprylamide Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=CC=C3C

Isomeric SMILES

CCCCCCCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C27H37N3O2/c1-3-4-5-6-7-12-26(31)28-24-13-15-25(16-14-24)29-17-19-30(20-18-29)27(32)21-23-11-9-8-10-22(23)2/h8-11,13-16H,3-7,12,17-21H2,1-2H3,(H,28,31)