[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H24ClN3O3 MolecularWeight: 353.84376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC(C)C(=O)N2CCCCCC2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OC(C)C(=O)N2CCCCCC2)Cl)C

InChI

InChI=1S/C17H24ClN3O3/c1-12-14(16(18)20(3)19-12)8-9-15(22)24-13(2)17(23)21-10-6-4-5-7-11-21/h8-9,13H,4-7,10-11H2,1-3H3/b9-8+