3-phenylprop-2-ynyl 3-methyl-4-(3-methylphenyl)piperazine-1-carboxylate

Systemtic Name: 3-phenylprop-2-ynyl 3-methyl-4-(3-methylphenyl)piperazine-1-carboxylate Openeye Name: 3-phenylprop-2-ynyl 3-methyl-4-(m-tolyl)piperazine-1-carboxylate CAS Name: 3-methyl-4-(3-methylphenyl)-1-piperazinecarboxylic acid 3-phenylprop-2-ynyl ester IUPAC Name: 3-phenylprop-2-ynyl 3-methyl-4-(3-methylphenyl)piperazine-1-carboxylate Traditional Name: 3-methyl-4-(m-tolyl)piperazine-1-carboxylic acid 3-phenylprop-2-ynyl ester Formula: C22H24N2O2 MolecularWeight: 348.43816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)OCC#CC3=CC=CC=C3

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)OCC#CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O2/c1-18-8-6-12-21(16-18)24-14-13-23(17-19(24)2)22(25)26-15-7-11-20-9-4-3-5-10-20/h3-6,8-10,12,16,19H,13-15,17H2,1-2H3