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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]urea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]urea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[[3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]urea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]urea Formula: C23H22BrN5O MolecularWeight: 464.35768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)N4C=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)N4C=CC=C4)Br

InChI

InChI=1S/C23H22BrN5O/c1-16-14-18(10-11-21(16)24)26-23(30)25-15-20-17(2)27-29(19-8-4-3-5-9-19)22(20)28-12-6-7-13-28/h3-14H,15H2,1-2H3,(H2,25,26,30)