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

Systemtic Name: tert-butyl 4-(3-cyano-6-thiophen-2-yl-pyridin-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-cyano-6-(2-thienyl)-2-pyridyl]-1,4-diazepane-1-carboxylate CAS Name: 4-(3-cyano-6-thiophen-2-yl-2-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-cyano-6-thiophen-2-ylpyridin-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-cyano-6-(2-thienyl)-2-pyridyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=CC(=N2)C3=CC=CS3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=CC(=N2)C3=CC=CS3)C#N

InChI

InChI=1S/C20H24N4O2S/c1-20(2,3)26-19(25)24-10-5-9-23(11-12-24)18-15(14-21)7-8-16(22-18)17-6-4-13-27-17/h4,6-8,13H,5,9-12H2,1-3H3