tert-butyl N-[(4S)-2-(1H-benzimidazol-2-ylmethyl)-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]carbamate

Systemtic Name: tert-butyl N-[(4S)-2-(1H-benzimidazol-2-ylmethyl)-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]carbamate Openeye Name: tert-butyl N-[(4S)-2-(1H-benzimidazol-2-ylmethyl)-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]carbamate CAS Name: N-[(4S)-2-(1H-benzimidazol-2-ylmethyl)-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4S)-2-(1H-benzimidazol-2-ylmethyl)-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]carbamate Traditional Name: N-[(4S)-2-(1H-benzimidazol-2-ylmethyl)-3-keto-4,5-dihydro-1H-2-benzazepin-4-yl]carbamic acid tert-butyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC2=CC=CC=C2CN(C1=O)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CC2=CC=CC=C2CN(C1=O)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H26N4O3/c1-23(2,3)30-22(29)26-19-12-15-8-4-5-9-16(15)13-27(21(19)28)14-20-24-17-10-6-7-11-18(17)25-20/h4-11,19H,12-14H2,1-3H3,(H,24,25)(H,26,29)/t19-/m0/s1