1-(2-bromophenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]urea

Systemtic Name: 1-(2-bromophenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]urea Openeye Name: 1-(2-bromophenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]urea CAS Name: 1-(2-bromophenyl)-3-[[3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea Traditional Name: 1-(2-bromophenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]urea Formula: C22H20BrN5O MolecularWeight: 450.3311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNC(=O)NC2=CC=CC=C2Br)N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CNC(=O)NC2=CC=CC=C2Br)N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20BrN5O/c1-16-18(15-24-22(29)25-20-12-6-5-11-19(20)23)21(27-13-7-8-14-27)28(26-16)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H2,24,25,29)