(E)-but-2-enedioic acid; 2-[4-(7-methyl-3-phenyl-5H-1-benzazepin-2-yl)piperazin-1-yl]ethanol

Systemtic Name: (E)-but-2-enedioic acid; 2-[4-(7-methyl-3-phenyl-5H-1-benzazepin-2-yl)piperazin-1-yl]ethanol Openeye Name: fumaric acid; 2-[4-(7-methyl-3-phenyl-5H-1-benzazepin-2-yl)piperazin-1-yl]ethanol CAS Name: (E)-2-butenedioic acid; 2-[4-(7-methyl-3-phenyl-5H-1-benzazepin-2-yl)-1-piperazinyl]ethanol IUPAC Name: (E)-but-2-enedioic acid; 2-[4-(7-methyl-3-phenyl-5H-1-benzazepin-2-yl)piperazin-1-yl]ethanol Traditional Name: fumaric acid; 2-[4-(7-methyl-3-phenyl-5H-1-benzazepin-2-yl)piperazino]ethanol Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=CC2)C3=CC=CC=C3)N4CCN(CC4)CCO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=CC2)C3=CC=CC=C3)N4CCN(CC4)CCO.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H27N3O.C4H4O4/c1-18-7-10-22-20(17-18)8-9-21(19-5-3-2-4-6-19)23(24-22)26-13-11-25(12-14-26)15-16-27;5-3(6)1-2-4(7)8/h2-7,9-10,17,27H,8,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+