tert-butyl 4-(3-propan-2-ylpyridin-2-yl)-5H-1,4-diazepine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-propan-2-ylpyridin-2-yl)-5H-1,4-diazepine-1-carboxylate Openeye Name: tert-butyl 4-(3-isopropyl-2-pyridyl)-5H-1,4-diazepine-1-carboxylate CAS Name: 4-(3-propan-2-yl-2-pyridinyl)-5H-1,4-diazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-propan-2-ylpyridin-2-yl)-5H-1,4-diazepine-1-carboxylate Traditional Name: 4-(3-isopropyl-2-pyridyl)-5H-1,4-diazepine-1-carboxylic acid tert-butyl ester Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=CC=C1)N2CC=CN(C=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C1=C(N=CC=C1)N2CC=CN(C=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H25N3O2/c1-14(2)15-8-6-9-19-16(15)20-10-7-11-21(13-12-20)17(22)23-18(3,4)5/h6-9,11-14H,10H2,1-5H3