1-ethyl-8-methoxy-2-oxidanylidene-7-piperazin-1-yl-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid

Systemtic Name: 1-ethyl-8-methoxy-2-oxidanylidene-7-piperazin-1-yl-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid Openeye Name: 1-ethyl-8-methoxy-2-oxo-7-piperazin-1-yl-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid CAS Name: 1-ethyl-8-methoxy-2-oxo-7-(1-piperazinyl)-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid IUPAC Name: 1-ethyl-8-methoxy-2-oxo-7-piperazin-1-yl-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid Traditional Name: 1-ethyl-2-keto-8-methoxy-7-piperazino-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c1-3-21-14-11-16(25-2)15(20-8-6-19-7-9-20)10-12(14)4-5-13(17(21)22)18(23)24/h10-11,13,19H,3-9H2,1-2H3,(H,23,24)