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

Systemtic Name: 2-[(3R,5R)-3-azanyl-5-(3-chlorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[(3R,5R)-3-amino-5-(3-chlorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[(3R,5R)-3-amino-5-(3-chlorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butylacetamide IUPAC Name: 2-[(3R,5R)-3-amino-5-(3-chlorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butylacetamide Traditional Name: 2-[(3R,5R)-3-amino-5-(3-chlorophenyl)-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butyl-acetamide Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1C2=CC=CC=C2C(CC(C1=O)N)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)CN1C2=CC=CC=C2[C@H](C[C@H](C1=O)N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3O2/c1-22(2,3)25-20(27)13-26-19-10-5-4-9-16(19)17(12-18(24)21(26)28)14-7-6-8-15(23)11-14/h4-11,17-18H,12-13,24H2,1-3H3,(H,25,27)/t17-,18-/m1/s1