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

Systemtic Name: tert-butyl (3R)-1-ethyl-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-ethyl-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylate CAS Name: (3R)-1-ethyl-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-ethyl-8-methoxy-2-oxo-7-(4-phenylmethoxycarbonylpiperazin-1-yl)-4,5-dihydro-3H-1-benzazepine-3-carboxylate Traditional Name: (3R)-7-(4-carbobenzoxypiperazino)-1-ethyl-2-keto-8-methoxy-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid tert-butyl ester Formula: C30H39N3O6 MolecularWeight: 537.64716

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2CCC(C1=O)C(=O)OC(C)(C)C)N3CCN(CC3)C(=O)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCN1C2=CC(=C(C=C2CC[C@H](C1=O)C(=O)OC(C)(C)C)N3CCN(CC3)C(=O)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C30H39N3O6/c1-6-33-24-19-26(37-5)25(18-22(24)12-13-23(27(33)34)28(35)39-30(2,3)4)31-14-16-32(17-15-31)29(36)38-20-21-10-8-7-9-11-21/h7-11,18-19,23H,6,12-17,20H2,1-5H3/t23-/m1/s1