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

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-chlorophenyl)-2-piperazin-1-yl-5H-1-benzazepine Openeye Name: 3-(2-chlorophenyl)-2-piperazin-1-yl-5H-1-benzazepine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-chlorophenyl)-2-(1-piperazinyl)-5H-1-benzazepine IUPAC Name: (E)-but-2-enedioic acid; 3-(2-chlorophenyl)-2-piperazin-1-yl-5H-1-benzazepine Traditional Name: 3-(2-chlorophenyl)-2-piperazino-5H-1-benzazepine; fumaric acid Formula: C24H24ClN3O4 MolecularWeight: 453.91806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=CC=CC=C3CC=C2C4=CC=CC=C4Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3CC=C2C4=CC=CC=C4Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H20ClN3.C4H4O4/c21-18-7-3-2-6-16(18)17-10-9-15-5-1-4-8-19(15)23-20(17)24-13-11-22-12-14-24;5-3(6)1-2-4(7)8/h1-8,10,22H,9,11-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+