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

Systemtic Name: (4-ethylpiperazin-1-yl)-[5-methyl-3-(2-methylpropyl)-1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (1-benzyl-3-isobutyl-5-methyl-pyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone CAS Name: (4-ethyl-1-piperazinyl)-[5-methyl-3-(2-methylpropyl)-1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: [1-benzyl-5-methyl-3-(2-methylpropyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: (1-benzyl-3-isobutyl-5-methyl-pyrazol-4-yl)-(4-ethylpiperazino)methanone Formula: C22H32N4O MolecularWeight: 368.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=C(N(N=C2CC(C)C)CC3=CC=CC=C3)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=C(N(N=C2CC(C)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H32N4O/c1-5-24-11-13-25(14-12-24)22(27)21-18(4)26(23-20(21)15-17(2)3)16-19-9-7-6-8-10-19/h6-10,17H,5,11-16H2,1-4H3