4,5-dimethoxy-3-[1-(pyridin-4-ylamino)ethylidene]-1,2-dihydro-2-benzazepine-1-carboxylic acid

Systemtic Name: 4,5-dimethoxy-3-[1-(pyridin-4-ylamino)ethylidene]-1,2-dihydro-2-benzazepine-1-carboxylic acid Openeye Name: 4,5-dimethoxy-3-[1-(4-pyridylamino)ethylidene]-1,2-dihydro-2-benzazepine-1-carboxylic acid CAS Name: 4,5-dimethoxy-3-[1-(pyridin-4-ylamino)ethylidene]-1,2-dihydro-2-benzazepine-1-carboxylic acid IUPAC Name: 4,5-dimethoxy-3-[1-(pyridin-4-ylamino)ethylidene]-1,2-dihydro-2-benzazepine-1-carboxylic acid Traditional Name: 4,5-dimethoxy-3-[1-(4-pyridylamino)ethylidene]-1,2-dihydro-2-benzazepine-1-carboxylic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=C(C2=CC=CC=C2C(N1)C(=O)O)OC)OC)NC3=CC=NC=C3

Isomeric SMILES

CC(=C1C(=C(C2=CC=CC=C2C(N1)C(=O)O)OC)OC)NC3=CC=NC=C3

InChI

InChI=1S/C20H21N3O4/c1-12(22-13-8-10-21-11-9-13)16-19(27-3)18(26-2)15-7-5-4-6-14(15)17(23-16)20(24)25/h4-11,17,23H,1-3H3,(H,21,22)(H,24,25)