tert-butyl N-[4-(3-azanyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)-1-oxidanyl-3-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-(3-azanyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)-1-oxidanyl-3-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[3-(3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-1-(hydroxymethyl)-2-oxo-propyl]carbamate CAS Name: N-[4-(3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-1-hydroxy-3-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-1-hydroxy-3-oxobutan-2-yl]carbamate Traditional Name: N-[3-(3-amino-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl)-2-keto-1-methylol-propyl]carbamic acid tert-butyl ester Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CO)C(=O)CN1C2=CC=CC=C2CCC(C1=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CO)C(=O)CN1C2=CC=CC=C2CCC(C1=O)N

InChI

InChI=1S/C19H27N3O5/c1-19(2,3)27-18(26)21-14(11-23)16(24)10-22-15-7-5-4-6-12(15)8-9-13(20)17(22)25/h4-7,13-14,23H,8-11,20H2,1-3H3,(H,21,26)