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

Systemtic Name: 3-[5-azanyl-1-(2-chlorophenyl)-3-phenyl-pyrazol-4-yl]-1-(2-dimethylaminoethyl)-1-(phenylmethyl)urea Openeye Name: 3-[5-amino-1-(2-chlorophenyl)-3-phenyl-pyrazol-4-yl]-1-benzyl-1-(2-dimethylaminoethyl)urea CAS Name: 3-[5-amino-1-(2-chlorophenyl)-3-phenyl-4-pyrazolyl]-1-(2-dimethylaminoethyl)-1-(phenylmethyl)urea IUPAC Name: 3-[5-amino-1-(2-chlorophenyl)-3-phenylpyrazol-4-yl]-1-benzyl-1-(2-dimethylaminoethyl)urea Traditional Name: 3-[5-amino-1-(2-chlorophenyl)-3-phenyl-pyrazol-4-yl]-1-benzyl-1-(2-dimethylaminoethyl)urea Formula: C27H29ClN6O MolecularWeight: 489.01176

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1)C(=O)NC2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4Cl)N

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1)C(=O)NC2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4Cl)N

InChI

InChI=1S/C27H29ClN6O/c1-32(2)17-18-33(19-20-11-5-3-6-12-20)27(35)30-25-24(21-13-7-4-8-14-21)31-34(26(25)29)23-16-10-9-15-22(23)28/h3-16H,17-19,29H2,1-2H3,(H,30,35)