methyl 3-[2-[3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]pyrazolidin-1-yl]carbonylpyridine-4-carboxylate

Systemtic Name: methyl 3-[2-[3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]pyrazolidin-1-yl]carbonylpyridine-4-carboxylate Openeye Name: methyl 3-[2-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]pyrazolidine-1-carbonyl]pyridine-4-carboxylate CAS Name: 3-[[2-[3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]-1-pyrazolidinyl]-oxomethyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]pyrazolidine-1-carbonyl]pyridine-4-carboxylate Traditional Name: 3-[2-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]pyrazolidine-1-carbonyl]isonicotinic acid methyl ester Formula: C19H20ClN5O4 MolecularWeight: 417.8462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)C3=C(C=CN=C3)C(=O)OC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)C3=C(C=CN=C3)C(=O)OC)Cl)C

InChI

InChI=1S/C19H20ClN5O4/c1-12-13(17(20)23(2)22-12)5-6-16(26)24-9-4-10-25(24)18(27)15-11-21-8-7-14(15)19(28)29-3/h5-8,11H,4,9-10H2,1-3H3