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

Systemtic Name: 1-[3-(4-bromanyl-2-methyl-pyrazol-3-yl)-5-pyrrolidin-1-yl-phenyl]-3-(4-dimethylaminophenyl)urea Openeye Name: 1-[3-(4-bromo-2-methyl-pyrazol-3-yl)-5-pyrrolidin-1-yl-phenyl]-3-(4-dimethylaminophenyl)urea CAS Name: 1-[3-(4-bromo-2-methyl-3-pyrazolyl)-5-(1-pyrrolidinyl)phenyl]-3-(4-dimethylaminophenyl)urea IUPAC Name: 1-[3-(4-bromo-2-methylpyrazol-3-yl)-5-pyrrolidin-1-ylphenyl]-3-(4-dimethylaminophenyl)urea Traditional Name: 1-[3-(4-bromo-2-methyl-pyrazol-3-yl)-5-pyrrolidino-phenyl]-3-(4-dimethylaminophenyl)urea Formula: C23H27BrN6O MolecularWeight: 483.40408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN6O/c1-28(2)19-8-6-17(7-9-19)26-23(31)27-18-12-16(22-21(24)15-25-29(22)3)13-20(14-18)30-10-4-5-11-30/h6-9,12-15H,4-5,10-11H2,1-3H3,(H2,26,27,31)