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

Systemtic Name: tert-butyl 2-[7-chloranyl-2-oxidanylidene-5-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-3-yl]ethanoate Openeye Name: tert-butyl 2-(1-benzyl-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetate CAS Name: 2-[7-chloro-2-oxo-5-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-benzyl-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetate Traditional Name: 2-(1-benzyl-7-chloro-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetic acid tert-butyl ester Formula: C28H27ClN2O3 MolecularWeight: 474.97858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H27ClN2O3/c1-28(2,3)34-25(32)17-23-27(33)31(18-19-10-6-4-7-11-19)24-15-14-21(29)16-22(24)26(30-23)20-12-8-5-9-13-20/h4-16,23H,17-18H2,1-3H3