tert-butyl N-[5-(azetidin-1-yl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[5-(azetidin-1-yl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-(azetidin-1-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[5-(1-azetidinyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(azetidin-1-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-(azetidin-1-yl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)N3CCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)N3CCC3

InChI

InChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)20-13-15(22)18-12-8-5-4-7-11(12)14(19-13)21-9-6-10-21/h4-5,7-8,13H,6,9-10H2,1-3H3,(H,18,22)(H,20,23)