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

Systemtic Name: 1-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-3-butyl-urea Openeye Name: 1-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]-3-butyl-urea CAS Name: 1-[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)phenyl]-3-butylurea IUPAC Name: 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-3-butylurea Traditional Name: 1-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]-3-butyl-urea Formula: C16H21BrN4O MolecularWeight: 365.26814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC=C(C=C1)N2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCCCNC(=O)NC1=CC=C(C=C1)N2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C16H21BrN4O/c1-4-5-10-18-16(22)19-13-6-8-14(9-7-13)21-12(3)15(17)11(2)20-21/h6-9H,4-5,10H2,1-3H3,(H2,18,19,22)