(E)-1-[4-(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-bromo-1-methyl-pyrazole-3-carbonyl)piperazin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4-bromo-1-methyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]-3-(4-chlorophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-bromo-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-bromo-1-methyl-pyrazole-3-carbonyl)piperazino]-3-(4-chlorophenyl)prop-2-en-1-one Formula: C18H18BrClN4O2 MolecularWeight: 437.71812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)Cl)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C18H18BrClN4O2/c1-22-12-15(19)17(21-22)18(26)24-10-8-23(9-11-24)16(25)7-4-13-2-5-14(20)6-3-13/h2-7,12H,8-11H2,1H3/b7-4+