[5-methyl-3-(2-methylpropyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [5-methyl-3-(2-methylpropyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: (1-benzyl-3-isobutyl-5-methyl-pyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone CAS Name: [5-methyl-3-(2-methylpropyl)-1-(phenylmethyl)-4-pyrazolyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [1-benzyl-5-methyl-3-(2-methylpropyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: (1-benzyl-3-isobutyl-5-methyl-pyrazol-4-yl)-(4-methylpiperazino)methanone Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)CC(C)C)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)CC(C)C)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H30N4O/c1-16(2)14-19-20(21(26)24-12-10-23(4)11-13-24)17(3)25(22-19)15-18-8-6-5-7-9-18/h5-9,16H,10-15H2,1-4H3