1-[2-[3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]pyrazolidin-1-yl]hex-5-yn-1-one

Systemtic Name: 1-[2-[3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]pyrazolidin-1-yl]hex-5-yn-1-one Openeye Name: 1-[2-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]pyrazolidin-1-yl]hex-5-yn-1-one CAS Name: 1-[2-[3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]-1-pyrazolidinyl]-5-hexyn-1-one IUPAC Name: 1-[2-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]pyrazolidin-1-yl]hex-5-yn-1-one Traditional Name: 1-[2-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]pyrazolidin-1-yl]hex-5-yn-1-one Formula: C17H21ClN4O2 MolecularWeight: 348.82724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)CCCC#C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)CCCC#C)Cl)C

InChI

InChI=1S/C17H21ClN4O2/c1-4-5-6-8-15(23)21-11-7-12-22(21)16(24)10-9-14-13(2)19-20(3)17(14)18/h1,9-10H,5-8,11-12H2,2-3H3