tert-butyl 4-(3-cyano-6-phenyl-pyridin-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(3-cyano-6-phenyl-pyridin-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(3-cyano-6-phenyl-2-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(3-cyano-6-phenyl-2-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-cyano-6-phenylpyridin-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-cyano-6-phenyl-2-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H26N4O2/c1-22(2,3)28-21(27)26-13-7-12-25(14-15-26)20-18(16-23)10-11-19(24-20)17-8-5-4-6-9-17/h4-6,8-11H,7,12-15H2,1-3H3