tert-butyl 2-[5-(2-fluorophenyl)-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-(2-fluorophenyl)-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-(benzyloxycarbonylamino)-5-(2-fluorophenyl)-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-(2-fluorophenyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(2-fluorophenyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-(2-fluorophenyl)-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester Formula: C30H30FN3O5 MolecularWeight: 531.574703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3=CC=CC=C3F)NC(=O)OCC4=CC=CC=C4)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3=CC=CC=C3F)NC(=O)OCC4=CC=CC=C4)CC(=O)OC(C)(C)C

InChI

InChI=1S/C30H30FN3O5/c1-19-11-10-15-22-25(21-14-8-9-16-23(21)31)32-27(33-29(37)38-18-20-12-6-5-7-13-20)28(36)34(26(19)22)17-24(35)39-30(2,3)4/h5-16,27H,17-18H2,1-4H3,(H,33,37)