tert-butyl 4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-2-[4-(m-tolyl)piperazino]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H34N4O3 MolecularWeight: 402.53036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N4O3/c1-18-6-5-7-19(16-18)24-12-14-25(15-13-24)20(27)17-23-8-10-26(11-9-23)21(28)29-22(2,3)4/h5-7,16H,8-15,17H2,1-4H3