N-[4-[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]octanamide

Systemtic Name: N-[4-[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]octanamide Openeye Name: N-[4-[4-[2-(m-tolyl)acetyl]piperazin-1-yl]phenyl]octanamide CAS Name: N-[4-[4-[2-(3-methylphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]octanamide IUPAC Name: N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]octanamide Traditional Name: N-[4-[4-[2-(m-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(=C3)C

Isomeric SMILES

CCCCCCCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=CC(=C3)C

InChI

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