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

Systemtic Name: tert-butyl 2-[7-chloranyl-2-oxidanylidene-5-phenyl-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-(3-benzyl-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate CAS Name: 2-[7-chloro-2-oxo-5-phenyl-3-(phenylmethyl)-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-benzyl-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate Traditional Name: 2-(3-benzyl-7-chloro-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-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)CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

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