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

Systemtic Name: 1-(3-chlorophenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]urea Openeye Name: 1-(3-chlorophenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]urea CAS Name: 1-(3-chlorophenyl)-3-[[3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea Traditional Name: 1-(3-chlorophenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]urea Formula: C22H20ClN5O MolecularWeight: 405.8801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNC(=O)NC2=CC(=CC=C2)Cl)N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CNC(=O)NC2=CC(=CC=C2)Cl)N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN5O/c1-16-20(15-24-22(29)25-18-9-7-8-17(23)14-18)21(27-12-5-6-13-27)28(26-16)19-10-3-2-4-11-19/h2-14H,15H2,1H3,(H2,24,25,29)