1-[4-[6-(4-ethylphenyl)-1-(phenylmethyl)piperidin-3-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[6-(4-ethylphenyl)-1-(phenylmethyl)piperidin-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[1-benzyl-6-(4-ethylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[6-(4-ethylphenyl)-1-(phenylmethyl)-3-piperidinyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[1-benzyl-6-(4-ethylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[1-benzyl-6-(4-ethylphenyl)nipecotoyl]piperazino]ethanone Formula: C27H35N3O2 MolecularWeight: 433.5857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CCC(CN2CC3=CC=CC=C3)C(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2CCC(CN2CC3=CC=CC=C3)C(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C27H35N3O2/c1-3-22-9-11-24(12-10-22)26-14-13-25(20-30(26)19-23-7-5-4-6-8-23)27(32)29-17-15-28(16-18-29)21(2)31/h4-12,25-26H,3,13-20H2,1-2H3