(E)-1-(azepan-1-yl)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-en-1-one Formula: C20H24ClN3O MolecularWeight: 357.87706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCCCC2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N2CCCCCC2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H24ClN3O/c1-16-18(11-12-19(25)23-13-7-2-3-8-14-23)20(21)24(22-16)15-17-9-5-4-6-10-17/h4-6,9-12H,2-3,7-8,13-15H2,1H3/b12-11+