1-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-butyl-urea

Systemtic Name: 1-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-butyl-urea Openeye Name: 1-[4-bromo-1-(m-tolylmethyl)pyrazol-3-yl]-3-butyl-urea CAS Name: 1-[4-bromo-1-[(3-methylphenyl)methyl]-3-pyrazolyl]-3-butylurea IUPAC Name: 1-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-butylurea Traditional Name: 1-[4-bromo-1-(3-methylbenzyl)pyrazol-3-yl]-3-butyl-urea Formula: C16H21BrN4O MolecularWeight: 365.26814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NN(C=C1Br)CC2=CC=CC(=C2)C

Isomeric SMILES

CCCCNC(=O)NC1=NN(C=C1Br)CC2=CC=CC(=C2)C

InChI

InChI=1S/C16H21BrN4O/c1-3-4-8-18-16(22)19-15-14(17)11-21(20-15)10-13-7-5-6-12(2)9-13/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,19,20,22)