3-butyl-1-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-1-(2-methylpropyl)urea

Systemtic Name: 3-butyl-1-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-1-(2-methylpropyl)urea Openeye Name: 3-butyl-1-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-1-isobutyl-urea CAS Name: 3-butyl-1-[[5-(4-ethyl-1-piperazinyl)-3-methyl-1-phenyl-4-pyrazolyl]methyl]-1-(2-methylpropyl)urea IUPAC Name: 3-butyl-1-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-1-(2-methylpropyl)urea Traditional Name: 3-butyl-1-[[5-(4-ethylpiperazino)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-1-isobutyl-urea Formula: C26H42N6O MolecularWeight: 454.65128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC1=C(N(N=C1C)C2=CC=CC=C2)N3CCN(CC3)CC)CC(C)C

Isomeric SMILES

CCCCNC(=O)N(CC1=C(N(N=C1C)C2=CC=CC=C2)N3CCN(CC3)CC)CC(C)C

InChI

InChI=1S/C26H42N6O/c1-6-8-14-27-26(33)31(19-21(3)4)20-24-22(5)28-32(23-12-10-9-11-13-23)25(24)30-17-15-29(7-2)16-18-30/h9-13,21H,6-8,14-20H2,1-5H3,(H,27,33)