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

Systemtic Name: (E)-but-2-enedioic acid; 3-phenyl-2-piperazin-1-yl-5H-1-benzazepine Openeye Name: fumaric acid; 3-phenyl-2-piperazin-1-yl-5H-1-benzazepine CAS Name: (E)-2-butenedioic acid; 3-phenyl-2-(1-piperazinyl)-5H-1-benzazepine IUPAC Name: (E)-but-2-enedioic acid; 3-phenyl-2-piperazin-1-yl-5H-1-benzazepine Traditional Name: fumaric acid; 3-phenyl-2-piperazino-5H-1-benzazepine Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=CC=CC=C3CC=C2C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3CC=C2C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H21N3.C4H4O4/c1-2-6-16(7-3-1)18-11-10-17-8-4-5-9-19(17)22-20(18)23-14-12-21-13-15-23;5-3(6)1-2-4(7)8/h1-9,11,21H,10,12-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+