2-(1H-azepin-3-yl)ethanamine; (E)-but-2-enedioic acid

Systemtic Name: 2-(1H-azepin-3-yl)ethanamine; (E)-but-2-enedioic acid Openeye Name: 2-(1H-azepin-3-yl)ethanamine; fumaric acid CAS Name: 2-(1H-azepin-3-yl)ethanamine; (E)-2-butenedioic acid IUPAC Name: 2-(1H-azepin-3-yl)ethanamine; (E)-but-2-enedioic acid Traditional Name: 2-(1H-azepin-3-yl)ethylamine; fumaric acid Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNC=C1)CCN.C1=CC(=CNC=C1)CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CNC=C1)CCN.C1=CC(=CNC=C1)CCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C8H12N2.C4H4O4/c2*9-5-4-8-3-1-2-6-10-7-8;5-3(6)1-2-4(7)8/h2*1-3,6-7,10H,4-5,9H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+