1-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2,5-dimethoxyphenyl)urea

Systemtic Name: 1-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2,5-dimethoxyphenyl)urea Openeye Name: 1-[4-bromo-1-(m-tolylmethyl)pyrazol-3-yl]-3-(2,5-dimethoxyphenyl)urea CAS Name: 1-[4-bromo-1-[(3-methylphenyl)methyl]-3-pyrazolyl]-3-(2,5-dimethoxyphenyl)urea IUPAC Name: 1-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2,5-dimethoxyphenyl)urea Traditional Name: 1-[4-bromo-1-(3-methylbenzyl)pyrazol-3-yl]-3-(2,5-dimethoxyphenyl)urea Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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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)OC)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O3/c1-13-5-4-6-14(9-13)11-25-12-16(21)19(24-25)23-20(26)22-17-10-15(27-2)7-8-18(17)28-3/h4-10,12H,11H2,1-3H3,(H2,22,23,24,26)