2-[(3S,5R)-3-azido-5-cyclohexyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[(3S,5R)-3-azido-5-cyclohexyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[(3S,5R)-3-azido-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[(3S,5R)-3-azido-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butylacetamide IUPAC Name: 2-[(3S,5R)-3-azido-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butylacetamide Traditional Name: 2-[(3S,5R)-3-azido-5-cyclohexyl-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butyl-acetamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1C2=CC=CC=C2C(CC(C1=O)N=[N+]=[N-])C3CCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)CN1C2=CC=CC=C2[C@H](C[C@@H](C1=O)N=[N+]=[N-])C3CCCCC3

InChI

InChI=1S/C22H31N5O2/c1-22(2,3)24-20(28)14-27-19-12-8-7-11-16(19)17(15-9-5-4-6-10-15)13-18(21(27)29)25-26-23/h7-8,11-12,15,17-18H,4-6,9-10,13-14H2,1-3H3,(H,24,28)/t17-,18+/m1/s1