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

Systemtic Name: 1-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-3-(3-methylphenyl)-1-(2-methylpropyl)urea Openeye Name: 1-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-1-isobutyl-3-(m-tolyl)urea CAS Name: 1-[[5-(4-ethyl-1-piperazinyl)-3-methyl-1-phenyl-4-pyrazolyl]methyl]-3-(3-methylphenyl)-1-(2-methylpropyl)urea IUPAC Name: 1-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-(3-methylphenyl)-1-(2-methylpropyl)urea Traditional Name: 1-[[5-(4-ethylpiperazino)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-1-isobutyl-3-(m-tolyl)urea Formula: C29H40N6O MolecularWeight: 488.6675

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NN2C3=CC=CC=C3)C)CN(CC(C)C)C(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NN2C3=CC=CC=C3)C)CN(CC(C)C)C(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C29H40N6O/c1-6-32-15-17-33(18-16-32)28-27(24(5)31-35(28)26-13-8-7-9-14-26)21-34(20-22(2)3)29(36)30-25-12-10-11-23(4)19-25/h7-14,19,22H,6,15-18,20-21H2,1-5H3,(H,30,36)