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

Systemtic Name: (E)-but-2-enedioic acid; 4-(2-dimethylaminoethyl)-2,8-dimethyl-4,5-dihydro-3H-2-benzazepin-1-one Openeye Name: 4-(2-dimethylaminoethyl)-2,8-dimethyl-4,5-dihydro-3H-2-benzazepin-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(2-dimethylaminoethyl)-2,8-dimethyl-4,5-dihydro-3H-2-benzazepin-1-one IUPAC Name: (E)-but-2-enedioic acid; 4-(2-dimethylaminoethyl)-2,8-dimethyl-4,5-dihydro-3H-2-benzazepin-1-one Traditional Name: 4-(2-dimethylaminoethyl)-2,8-dimethyl-4,5-dihydro-3H-2-benzazepin-1-one; fumaric acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(CN(C2=O)C)CCN(C)C)C=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(CC(CN(C2=O)C)CCN(C)C)C=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H24N2O.C4H4O4/c1-12-5-6-14-10-13(7-8-17(2)3)11-18(4)16(19)15(14)9-12;5-3(6)1-2-4(7)8/h5-6,9,13H,7-8,10-11H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+