5-(4-benzo[b][1]benzazepin-11-ylcarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-benzo[b][1]benzazepin-11-ylcarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(benzo[b][1]benzazepine-11-carbonyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-[11-benzo[b][1]benzazepinyl(oxo)methyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(benzo[b][1]benzazepine-11-carbonyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[4-(benzo[b][1]benzazepine-11-carbonyl)piperazino]-5-keto-valeric acid Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC(=O)O)C(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42

Isomeric SMILES

C1CN(CCN1C(=O)CCCC(=O)O)C(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42

InChI

InChI=1S/C24H25N3O4/c28-22(10-5-11-23(29)30)25-14-16-26(17-15-25)24(31)27-20-8-3-1-6-18(20)12-13-19-7-2-4-9-21(19)27/h1-4,6-9,12-13H,5,10-11,14-17H2,(H,29,30)