ethyl 6-[2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidin-1-yl]-6-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-[2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidin-1-yl]-6-oxidanylidene-hexanoate Openeye Name: ethyl 6-[2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidin-1-yl]-6-oxo-hexanoate CAS Name: 6-[2-[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]-1-pyrazolidinyl]-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-6-oxohexanoate Traditional Name: 6-keto-6-[2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidin-1-yl]hexanoic acid ethyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)N1CCCN1C(=O)C2=NN(N=C2C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCC(=O)N1CCCN1C(=O)C2=NN(N=C2C)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O4/c1-3-30-19(28)13-8-7-12-18(27)24-14-9-15-25(24)21(29)20-16(2)22-26(23-20)17-10-5-4-6-11-17/h4-6,10-11H,3,7-9,12-15H2,1-2H3