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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[[(phenylmethyl)carbamoylamino]methyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-[(benzylcarbamoylamino)methyl]azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[[[oxo-[(phenylmethyl)amino]methyl]amino]methyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(benzylcarbamoylamino)methyl]azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[3-[(benzylcarbamoylamino)methyl]azetidin-1-yl]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)CNC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)CNC(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N5O3/c1-3-30-21(28)19-9-18(10-23)20(26-15(19)2)27-13-17(14-27)12-25-22(29)24-11-16-7-5-4-6-8-16/h4-9,17H,3,11-14H2,1-2H3,(H2,24,25,29)