1-(4-bromanyl-3-methyl-phenyl)-3-[4-(cyclohexen-1-yl)-2,5-dimethyl-pyrazol-3-yl]urea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[4-(cyclohexen-1-yl)-2,5-dimethyl-pyrazol-3-yl]urea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-[4-(cyclohexen-1-yl)-2,5-dimethyl-pyrazol-3-yl]urea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[4-(1-cyclohexenyl)-2,5-dimethyl-3-pyrazolyl]urea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-[4-(cyclohexen-1-yl)-2,5-dimethylpyrazol-3-yl]urea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-[4-(cyclohexen-1-yl)-2,5-dimethyl-pyrazol-3-yl]urea Formula: C19H23BrN4O MolecularWeight: 403.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NC2=C(C(=NN2C)C)C3=CCCCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NC2=C(C(=NN2C)C)C3=CCCCC3)Br

InChI

InChI=1S/C19H23BrN4O/c1-12-11-15(9-10-16(12)20)21-19(25)22-18-17(13(2)23-24(18)3)14-7-5-4-6-8-14/h7,9-11H,4-6,8H2,1-3H3,(H2,21,22,25)