methyl 6-[2-(3-benzamidopropanoyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-(3-benzamidopropanoyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(3-benzamidopropanoyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-(3-benzamido-1-oxopropyl)-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(3-benzamidopropanoyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(3-benzamidopropanoyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)CCNC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)CCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O5/c1-30-21(29)16-8-9-17(23-14-16)20(28)25-13-5-12-24(25)18(26)10-11-22-19(27)15-6-3-2-4-7-15/h2-4,6-9,14H,5,10-13H2,1H3,(H,22,27)