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

Systemtic Name: tert-butyl (3R)-1-ethyl-8-methoxy-2-oxidanylidene-7-piperazin-1-yl-4,5-dihydro-3H-1-benzazepine-3-carboxylate Openeye Name: tert-butyl (3R)-1-ethyl-8-methoxy-2-oxo-7-piperazin-1-yl-4,5-dihydro-3H-1-benzazepine-3-carboxylate CAS Name: (3R)-1-ethyl-8-methoxy-2-oxo-7-(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-piperazin-1-yl-4,5-dihydro-3H-1-benzazepine-3-carboxylate Traditional Name: (3R)-1-ethyl-2-keto-8-methoxy-7-piperazino-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid tert-butyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2CCC(C1=O)C(=O)OC(C)(C)C)N3CCNCC3)OC

Isomeric SMILES

CCN1C2=CC(=C(C=C2CC[C@H](C1=O)C(=O)OC(C)(C)C)N3CCNCC3)OC

InChI

InChI=1S/C22H33N3O4/c1-6-25-17-14-19(28-5)18(24-11-9-23-10-12-24)13-15(17)7-8-16(20(25)26)21(27)29-22(2,3)4/h13-14,16,23H,6-12H2,1-5H3/t16-/m1/s1