(E)-but-2-enedioic acid; 8-(dimethylamino)-4-(2-dimethylaminoethyl)-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one

Systemtic Name: (E)-but-2-enedioic acid; 8-(dimethylamino)-4-(2-dimethylaminoethyl)-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one Openeye Name: 8-(dimethylamino)-4-(2-dimethylaminoethyl)-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 8-(dimethylamino)-4-(2-dimethylaminoethyl)-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one IUPAC Name: (E)-but-2-enedioic acid; 8-(dimethylamino)-4-(2-dimethylaminoethyl)-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one Traditional Name: 8-(dimethylamino)-4-(2-dimethylaminoethyl)-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one; fumaric acid Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC2=C(C1=O)C=C(C=C2)N(C)C)CCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CC(CC2=C(C1=O)C=C(C=C2)N(C)C)CCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H27N3O.C4H4O4/c1-18(2)9-8-13-10-14-6-7-15(19(3)4)11-16(14)17(21)20(5)12-13;5-3(6)1-2-4(7)8/h6-7,11,13H,8-10,12H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+