tert-butyl 2-(7-chloranyl-3-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(7-chloranyl-3-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate Openeye Name: tert-butyl 2-(7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate CAS Name: 2-(7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate Traditional Name: 2-(7-chloro-2-keto-3-methyl-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid tert-butyl ester Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)OC(C)(C)C

InChI

InChI=1S/C22H23ClN2O3/c1-14-21(27)25(13-19(26)28-22(2,3)4)18-11-10-16(23)12-17(18)20(24-14)15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3