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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[(phenylcarbamoylamino)methyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[3-[(phenylcarbamoylamino)methyl]azetidin-1-yl]pyridine-3-carboxylate CAS Name: 6-[3-[[[anilino(oxo)methyl]amino]methyl]-1-azetidinyl]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[3-[(phenylcarbamoylamino)methyl]azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[3-[(phenylcarbamoylamino)methyl]azetidin-1-yl]nicotinic acid ethyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)CNC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)CNC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N5O3/c1-3-29-20(27)18-9-16(10-22)19(24-14(18)2)26-12-15(13-26)11-23-21(28)25-17-7-5-4-6-8-17/h4-9,15H,3,11-13H2,1-2H3,(H2,23,25,28)