tert-butyl N-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-morpholin-4-yl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-morpholin-4-yl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(2-amino-2-oxo-ethyl)-5-morpholino-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2-amino-2-oxoethyl)-5-(4-morpholinyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-amino-2-oxoethyl)-5-morpholin-4-yl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(2-amino-2-keto-ethyl)-2-keto-5-morpholino-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)N3CCOCC3)CC(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)N3CCOCC3)CC(=O)N

InChI

InChI=1S/C20H27N5O5/c1-20(2,3)30-19(28)23-16-18(27)25(12-15(21)26)14-7-5-4-6-13(14)17(22-16)24-8-10-29-11-9-24/h4-7,16H,8-12H2,1-3H3,(H2,21,26)(H,23,28)