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

Systemtic Name: 3-phenylprop-2-ynyl 4-(3-methylphenyl)piperazine-1-carboxylate Openeye Name: 3-phenylprop-2-ynyl 4-(m-tolyl)piperazine-1-carboxylate CAS Name: 4-(3-methylphenyl)-1-piperazinecarboxylic acid 3-phenylprop-2-ynyl ester IUPAC Name: 3-phenylprop-2-ynyl 4-(3-methylphenyl)piperazine-1-carboxylate Traditional Name: 4-(m-tolyl)piperazine-1-carboxylic acid 3-phenylprop-2-ynyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)OCC#CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)OCC#CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c1-18-7-5-11-20(17-18)22-12-14-23(15-13-22)21(24)25-16-6-10-19-8-3-2-4-9-19/h2-5,7-9,11,17H,12-16H2,1H3