7-bromanyl-3-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-5H-1-benzazepine; (E)-but-2-enedioic acid

Systemtic Name: 7-bromanyl-3-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-5H-1-benzazepine; (E)-but-2-enedioic acid Openeye Name: 7-bromo-3-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-5H-1-benzazepine; fumaric acid CAS Name: 7-bromo-3-(4-chlorophenyl)-2-(4-ethyl-1-piperazinyl)-5H-1-benzazepine; (E)-2-butenedioic acid IUPAC Name: 7-bromo-3-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-5H-1-benzazepine; (E)-but-2-enedioic acid Traditional Name: 7-bromo-3-(4-chlorophenyl)-2-(4-ethylpiperazino)-5H-1-benzazepine; fumaric acid Formula: C26H27BrClN3O4 MolecularWeight: 560.86728

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(CC=C2C4=CC=C(C=C4)Cl)C=C(C=C3)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(CC=C2C4=CC=C(C=C4)Cl)C=C(C=C3)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H23BrClN3.C4H4O4/c1-2-26-11-13-27(14-12-26)22-20(16-3-7-19(24)8-4-16)9-5-17-15-18(23)6-10-21(17)25-22;5-3(6)1-2-4(7)8/h3-4,6-10,15H,2,5,11-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+