1-[(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylamino]-3-(4-butylphenyl)urea

Systemtic Name: 1-[(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylamino]-3-(4-butylphenyl)urea Openeye Name: 1-[(4-bromo-1-methyl-pyrazole-3-carbonyl)amino]-3-(4-butylphenyl)urea CAS Name: 1-[[(4-bromo-1-methyl-3-pyrazolyl)-oxomethyl]amino]-3-(4-butylphenyl)urea IUPAC Name: 1-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-3-(4-butylphenyl)urea Traditional Name: 1-[(4-bromo-1-methyl-pyrazole-3-carbonyl)amino]-3-(4-butylphenyl)urea Formula: C16H20BrN5O2 MolecularWeight: 394.2663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NNC(=O)C2=NN(C=C2Br)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)NNC(=O)C2=NN(C=C2Br)C

InChI

InChI=1S/C16H20BrN5O2/c1-3-4-5-11-6-8-12(9-7-11)18-16(24)20-19-15(23)14-13(17)10-22(2)21-14/h6-10H,3-5H2,1-2H3,(H,19,23)(H2,18,20,24)