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

Systemtic Name: 1-(2-chloranyl-4-methyl-phenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]urea Openeye Name: 1-(2-chloro-4-methyl-phenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]urea CAS Name: 1-(2-chloro-4-methylphenyl)-3-[[3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]urea IUPAC Name: 1-(2-chloro-4-methylphenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]urea Traditional Name: 1-(2-chloro-4-methyl-phenyl)-3-[(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]urea Formula: C23H22ClN5O MolecularWeight: 419.90668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN5O/c1-16-10-11-21(20(24)14-16)26-23(30)25-15-19-17(2)27-29(18-8-4-3-5-9-18)22(19)28-12-6-7-13-28/h3-14H,15H2,1-2H3,(H2,25,26,30)