ethyl N-[N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-C-pyridin-2-yl-carbonimidoyl]carbamate

Systemtic Name: ethyl N-[N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-C-pyridin-2-yl-carbonimidoyl]carbamate Openeye Name: ethyl N-[N-(6-cyano-2,2-dimethyl-chroman-4-yl)-C-(2-pyridyl)carbonimidoyl]carbamate CAS Name: N-[(6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)imino-(2-pyridinyl)methyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-C-pyridin-2-ylcarbonimidoyl]carbamate Traditional Name: N-[N-(6-cyano-2,2-dimethyl-chroman-4-yl)-C-(2-pyridyl)carbonimidoyl]carbamic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=NC1CC(OC2=C1C=C(C=C2)C#N)(C)C)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)NC(=NC1CC(OC2=C1C=C(C=C2)C#N)(C)C)C3=CC=CC=N3

InChI

InChI=1S/C21H22N4O3/c1-4-27-20(26)25-19(16-7-5-6-10-23-16)24-17-12-21(2,3)28-18-9-8-14(13-22)11-15(17)18/h5-11,17H,4,12H2,1-3H3,(H,24,25,26)