1-[2-(1,3-benzodioxol-5-ylcarbonyl)pyrazolidin-1-yl]-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylcarbonyl)pyrazolidin-1-yl]-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: 1-[2-(1,3-benzodioxole-5-carbonyl)pyrazolidin-1-yl]-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: 1-[2-[1,3-benzodioxol-5-yl(oxo)methyl]-1-pyrazolidinyl]-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: 1-[2-(1,3-benzodioxole-5-carbonyl)pyrazolidin-1-yl]-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-en-1-one Traditional Name: 3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-1-(2-piperonyloylpyrazolidin-1-yl)prop-2-en-1-one Formula: C19H19ClN4O4 MolecularWeight: 402.83156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)C3=CC4=C(C=C3)OCO4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)C3=CC4=C(C=C3)OCO4)Cl)C

InChI

InChI=1S/C19H19ClN4O4/c1-12-14(18(20)22(2)21-12)5-7-17(25)23-8-3-9-24(23)19(26)13-4-6-15-16(10-13)28-11-27-15/h4-7,10H,3,8-9,11H2,1-2H3