tert-butyl (3R)-1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxidanylidene-7-(4-phenylmethoxycarbonylpiperazin-1-yl)-4,5-dihydro-3H-1-benzazepine-3-carboxylate

Systemtic Name: tert-butyl (3R)-1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxidanylidene-7-(4-phenylmethoxycarbonylpiperazin-1-yl)-4,5-dihydro-3H-1-benzazepine-3-carboxylate Openeye Name: tert-butyl (3R)-7-(4-benzyloxycarbonylpiperazin-1-yl)-1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylate CAS Name: (3R)-1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxo-7-(4-phenylmethoxycarbonyl-1-piperazinyl)-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-1-[(3-fluorophenyl)methyl]-8-methoxy-2-oxo-7-(4-phenylmethoxycarbonylpiperazin-1-yl)-4,5-dihydro-3H-1-benzazepine-3-carboxylate Traditional Name: (3R)-7-(4-carbobenzoxypiperazino)-1-(3-fluorobenzyl)-2-keto-8-methoxy-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid tert-butyl ester Formula: C35H40FN3O6 MolecularWeight: 617.707003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC2=CC(=C(C=C2N(C1=O)CC3=CC(=CC=C3)F)OC)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCC2=CC(=C(C=C2N(C1=O)CC3=CC(=CC=C3)F)OC)N4CCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H40FN3O6/c1-35(2,3)45-33(41)28-14-13-26-20-30(37-15-17-38(18-16-37)34(42)44-23-24-9-6-5-7-10-24)31(43-4)21-29(26)39(32(28)40)22-25-11-8-12-27(36)19-25/h5-12,19-21,28H,13-18,22-23H2,1-4H3/t28-/m1/s1