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

Systemtic Name: 1-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(5-chloranyl-2-methoxy-phenyl)urea Openeye Name: 1-[4-bromo-1-(m-tolylmethyl)pyrazol-3-yl]-3-(5-chloro-2-methoxy-phenyl)urea CAS Name: 1-[4-bromo-1-[(3-methylphenyl)methyl]-3-pyrazolyl]-3-(5-chloro-2-methoxyphenyl)urea IUPAC Name: 1-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(5-chloro-2-methoxyphenyl)urea Traditional Name: 1-[4-bromo-1-(3-methylbenzyl)pyrazol-3-yl]-3-(5-chloro-2-methoxy-phenyl)urea Formula: C19H18BrClN4O2 MolecularWeight: 449.72882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)NC3=C(C=CC(=C3)Cl)OC)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)NC3=C(C=CC(=C3)Cl)OC)Br

InChI

InChI=1S/C19H18BrClN4O2/c1-12-4-3-5-13(8-12)10-25-11-15(20)18(24-25)23-19(26)22-16-9-14(21)6-7-17(16)27-2/h3-9,11H,10H2,1-2H3,(H2,22,23,24,26)