tert-butyl N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxidanylidene-pyridin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxidanylidene-pyridin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridyl]carbamate CAS Name: N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxo-3-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-6-methyl-2-oxopyridin-3-yl]carbamate Traditional Name: N-[1-[(E)-4-(4-cyanophenyl)but-2-enyl]-2-keto-6-methyl-3-pyridyl]carbamic acid tert-butyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1CC=CCC2=CC=C(C=C2)C#N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C(=O)N1C/C=C/CC2=CC=C(C=C2)C#N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H25N3O3/c1-16-8-13-19(24-21(27)28-22(2,3)4)20(26)25(16)14-6-5-7-17-9-11-18(15-23)12-10-17/h5-6,8-13H,7,14H2,1-4H3,(H,24,27)/b6-5+