[2-[(4-chloranyl-3-methyl-phenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: [2-[(4-chloranyl-3-methyl-phenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: [2-[4-chloro-N-(2-cyanoethyl)-3-methyl-anilino]-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid [2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid [2-[4-chloro-N-(2-cyanoethyl)-3-methyl-anilino]-2-keto-ethyl] ester Formula: C22H23ClN4O3 MolecularWeight: 426.89602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=C(N=CC=C2)N3CCCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=C(N=CC=C2)N3CCCC3)Cl

InChI

InChI=1S/C22H23ClN4O3/c1-16-14-17(7-8-19(16)23)27(13-5-9-24)20(28)15-30-22(29)18-6-4-10-25-21(18)26-11-2-3-12-26/h4,6-8,10,14H,2-3,5,11-13,15H2,1H3