1-[3-(4-bromanyl-2-methyl-pyrazol-3-yl)-5-pyrrolidin-1-yl-phenyl]-3-(2,4-dichlorophenyl)urea

Systemtic Name: 1-[3-(4-bromanyl-2-methyl-pyrazol-3-yl)-5-pyrrolidin-1-yl-phenyl]-3-(2,4-dichlorophenyl)urea Openeye Name: 1-[3-(4-bromo-2-methyl-pyrazol-3-yl)-5-pyrrolidin-1-yl-phenyl]-3-(2,4-dichlorophenyl)urea CAS Name: 1-[3-(4-bromo-2-methyl-3-pyrazolyl)-5-(1-pyrrolidinyl)phenyl]-3-(2,4-dichlorophenyl)urea IUPAC Name: 1-[3-(4-bromo-2-methylpyrazol-3-yl)-5-pyrrolidin-1-ylphenyl]-3-(2,4-dichlorophenyl)urea Traditional Name: 1-[3-(4-bromo-2-methyl-pyrazol-3-yl)-5-pyrrolidino-phenyl]-3-(2,4-dichlorophenyl)urea Formula: C21H20BrCl2N5O MolecularWeight: 509.2264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C2=CC(=CC(=C2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl)N4CCCC4

Isomeric SMILES

CN1C(=C(C=N1)Br)C2=CC(=CC(=C2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl)N4CCCC4

InChI

InChI=1S/C21H20BrCl2N5O/c1-28-20(17(22)12-25-28)13-8-15(11-16(9-13)29-6-2-3-7-29)26-21(30)27-19-5-4-14(23)10-18(19)24/h4-5,8-12H,2-3,6-7H2,1H3,(H2,26,27,30)