ethyl 5-cyano-2-methyl-6-[3-[(2-phenylethanoylamino)methyl]azetidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[(2-phenylethanoylamino)methyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[3-[[(2-phenylacetyl)amino]methyl]azetidin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[[(1-oxo-2-phenylethyl)amino]methyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[3-[[(2-phenylacetyl)amino]methyl]azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[3-[[(2-phenylacetyl)amino]methyl]azetidin-1-yl]nicotinic acid ethyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)CNC(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)CNC(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N4O3/c1-3-29-22(28)19-10-18(11-23)21(25-15(19)2)26-13-17(14-26)12-24-20(27)9-16-7-5-4-6-8-16/h4-8,10,17H,3,9,12-14H2,1-2H3,(H,24,27)