5-methoxy-3-[methoxy-(pyridin-4-ylamino)methylidene]-4-methyl-1,2-dihydro-2-benzazepine-1-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(NC1=C(NC3=CC=NC=C3)OC)C(=O)O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(NC1=C(NC3=CC=NC=C3)OC)C(=O)O)OC

InChI

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