N-[(1S,2S)-2-methylcyclohexyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(m-tolylmethyl)piperazin-1-yl]acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-(3-methylbenzyl)piperazino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C21H33N3O MolecularWeight: 343.50622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CN2CCN(CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C21H33N3O/c1-17-6-5-8-19(14-17)15-23-10-12-24(13-11-23)16-21(25)22-20-9-4-3-7-18(20)2/h5-6,8,14,18,20H,3-4,7,9-13,15-16H2,1-2H3,(H,22,25)/t18-,20-/m0/s1