2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]butan-1-one

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-1-[4-(o-tolylmethyl)piperazin-1-yl]butan-1-one CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-1-[4-(2-methylbenzyl)piperazino]butan-1-one Formula: C21H29ClN4O MolecularWeight: 388.93416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2C)N3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2C)N3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C21H29ClN4O/c1-5-19(26-17(4)20(22)16(3)23-26)21(27)25-12-10-24(11-13-25)14-18-9-7-6-8-15(18)2/h6-9,19H,5,10-14H2,1-4H3