1-[5-azanyl-3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-3-(2-methylpropyl)urea

Systemtic Name: 1-[5-azanyl-3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-3-(2-methylpropyl)urea Openeye Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-isobutyl-urea CAS Name: 1-[5-amino-3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-3-(2-methylpropyl)urea IUPAC Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(2-methylpropyl)urea Traditional Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-isobutyl-urea Formula: C21H24ClN5O MolecularWeight: 397.90116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC1=C(N(N=C1C2=CC=C(C=C2)Cl)CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CNC(=O)NC1=C(N(N=C1C2=CC=C(C=C2)Cl)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H24ClN5O/c1-14(2)12-24-21(28)25-19-18(16-8-10-17(22)11-9-16)26-27(20(19)23)13-15-6-4-3-5-7-15/h3-11,14H,12-13,23H2,1-2H3,(H2,24,25,28)