(E)-but-2-enedioic acid; 3,8-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine

Systemtic Name: (E)-but-2-enedioic acid; 3,8-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine Openeye Name: 3,8-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3,8-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine IUPAC Name: (E)-but-2-enedioic acid; 3,8-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine Traditional Name: (3,8-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amine; fumaric acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(CN(CCC2=C1)C)C3=CC=CC=C3)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C2C(CN(CCC2=C1)C)C3=CC=CC=C3)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H22N2.C4H4O4/c1-13-10-15-8-9-20(2)12-17(16(15)11-18(13)19)14-6-4-3-5-7-14;5-3(6)1-2-4(7)8/h3-7,10-11,17H,8-9,12,19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+