2-(4-chloranylpyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]butan-1-one

Systemtic Name: 2-(4-chloranylpyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 2-(4-chloropyrazol-1-yl)-1-[4-(m-tolylmethyl)piperazin-1-yl]butan-1-one CAS Name: 2-(4-chloro-1-pyrazolyl)-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 2-(4-chloropyrazol-1-yl)-1-[4-(3-methylbenzyl)piperazino]butan-1-one Formula: C19H25ClN4O MolecularWeight: 360.881

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC=CC(=C2)C)N3C=C(C=N3)Cl

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC=CC(=C2)C)N3C=C(C=N3)Cl

InChI

InChI=1S/C19H25ClN4O/c1-3-18(24-14-17(20)12-21-24)19(25)23-9-7-22(8-10-23)13-16-6-4-5-15(2)11-16/h4-6,11-12,14,18H,3,7-10,13H2,1-2H3