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

Systemtic Name: 7-bromanyl-3-(2-chlorophenyl)-2-piperazin-1-yl-5H-1-benzazepine; (E)-but-2-enedioic acid Openeye Name: 7-bromo-3-(2-chlorophenyl)-2-piperazin-1-yl-5H-1-benzazepine; fumaric acid CAS Name: 7-bromo-3-(2-chlorophenyl)-2-(1-piperazinyl)-5H-1-benzazepine; (E)-2-butenedioic acid IUPAC Name: 7-bromo-3-(2-chlorophenyl)-2-piperazin-1-yl-5H-1-benzazepine; (E)-but-2-enedioic acid Traditional Name: 7-bromo-3-(2-chlorophenyl)-2-piperazino-5H-1-benzazepine; fumaric acid Formula: C24H23BrClN3O4 MolecularWeight: 532.81412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(CC=C2C4=CC=CC=C4Cl)C=C(C=C3)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(CC=C2C4=CC=CC=C4Cl)C=C(C=C3)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H19BrClN3.C4H4O4/c21-15-6-8-19-14(13-15)5-7-17(16-3-1-2-4-18(16)22)20(24-19)25-11-9-23-10-12-25;5-3(6)1-2-4(7)8/h1-4,6-8,13,23H,5,9-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+