methyl 6-[2-[3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]pyrazolidin-1-yl]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[2-[3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]pyrazolidin-1-yl]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[2-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]pyrazolidin-1-yl]-6-oxo-hexanoate CAS Name: 6-[2-[3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]-1-pyrazolidinyl]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[2-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]pyrazolidin-1-yl]-6-oxohexanoate Traditional Name: 6-[2-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]pyrazolidin-1-yl]-6-keto-hexanoic acid methyl ester Formula: C18H25ClN4O4 MolecularWeight: 396.8685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)CCCCC(=O)OC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)CCCCC(=O)OC)Cl)C

InChI

InChI=1S/C18H25ClN4O4/c1-13-14(18(19)21(2)20-13)9-10-16(25)23-12-6-11-22(23)15(24)7-4-5-8-17(26)27-3/h9-10H,4-8,11-12H2,1-3H3