tert-butyl 2-[(3R,5R)-3-azido-8-chloranyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3R,5R)-3-azido-8-chloranyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3R,5R)-3-azido-8-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[(3R,5R)-3-azido-8-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R,5R)-3-azido-8-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[(3R,5R)-3-azido-8-chloro-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=C(C=CC(=C2)Cl)C(CC(C1=O)N=[N+]=[N-])C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O3/c1-22(2,3)30-20(28)13-27-19-11-15(23)9-10-16(19)17(14-7-5-4-6-8-14)12-18(21(27)29)25-26-24/h4-11,17-18H,12-13H2,1-3H3/t17-,18-/m1/s1