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

Systemtic Name: 3-butyl-1-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-1-propyl-urea Openeye Name: 3-butyl-1-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-1-propyl-urea CAS Name: 3-butyl-1-[[5-(4-ethyl-1-piperazinyl)-3-methyl-1-phenyl-4-pyrazolyl]methyl]-1-propylurea IUPAC Name: 3-butyl-1-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-1-propylurea Traditional Name: 3-butyl-1-[[5-(4-ethylpiperazino)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-1-propyl-urea Formula: C25H40N6O MolecularWeight: 440.6247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N6O/c1-5-8-14-26-25(32)30(15-6-2)20-23-21(4)27-31(22-12-10-9-11-13-22)24(23)29-18-16-28(7-3)17-19-29/h9-13H,5-8,14-20H2,1-4H3,(H,26,32)