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

Systemtic Name: 1-[2-(2H-benzotriazol-5-ylcarbonyl)pyrazolidin-1-yl]-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: 1-[2-(2H-benzotriazole-5-carbonyl)pyrazolidin-1-yl]-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: 1-[2-[2H-benzotriazol-5-yl(oxo)methyl]-1-pyrazolidinyl]-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: 1-[2-(2H-benzotriazole-5-carbonyl)pyrazolidin-1-yl]-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-en-1-one Traditional Name: 1-[2-(2H-benzotriazole-5-carbonyl)pyrazolidin-1-yl]-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-en-1-one Formula: C18H18ClN7O2 MolecularWeight: 399.83422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)C3=CC4=NNN=C4C=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)C3=CC4=NNN=C4C=C3)Cl)C

InChI

InChI=1S/C18H18ClN7O2/c1-11-13(17(19)24(2)22-11)5-7-16(27)25-8-3-9-26(25)18(28)12-4-6-14-15(10-12)21-23-20-14/h4-7,10H,3,8-9H2,1-2H3,(H,20,21,23)