tert-butyl N-[2-methyl-4-[2-[(3R)-1-[[4-[2-(4-nitrophenoxy)phenyl]phenyl]methyl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]hydrazinyl]-4-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[2-methyl-4-[2-[(3R)-1-[[4-[2-(4-nitrophenoxy)phenyl]phenyl]methyl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]hydrazinyl]-4-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1,1-dimethyl-3-[2-[(3R)-1-[[4-[2-(4-nitrophenoxy)phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]hydrazino]-3-oxo-propyl]carbamate CAS Name: N-[2-methyl-4-[[(3R)-1-[[4-[2-(4-nitrophenoxy)phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]hydrazo]-4-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-methyl-4-[2-[(3R)-1-[[4-[2-(4-nitrophenoxy)phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]hydrazinyl]-4-oxobutan-2-yl]carbamate Traditional Name: N-[3-keto-3-[N'-[(3R)-2-keto-1-[4-[2-(4-nitrophenoxy)phenyl]benzyl]-4,5-dihydro-3H-1-benzazepin-3-yl]hydrazino]-1,1-dimethyl-propyl]carbamic acid tert-butyl ester Formula: C39H43N5O7 MolecularWeight: 693.78802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(C)CC(=O)NNC1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(C)CC(=O)NN[C@@H]1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C39H43N5O7/c1-38(2,3)51-37(47)40-39(4,5)24-35(45)42-41-32-23-18-28-10-6-8-12-33(28)43(36(32)46)25-26-14-16-27(17-15-26)31-11-7-9-13-34(31)50-30-21-19-29(20-22-30)44(48)49/h6-17,19-22,32,41H,18,23-25H2,1-5H3,(H,40,47)(H,42,45)/t32-/m1/s1