3-(1H-1,2-benzodiazepin-5-yl)propan-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 3-(1H-1,2-benzodiazepin-5-yl)propan-1-amine; (E)-but-2-enedioic acid Openeye Name: 3-(1H-1,2-benzodiazepin-5-yl)propan-1-amine; fumaric acid CAS Name: 3-(1H-1,2-benzodiazepin-5-yl)-1-propanamine; (E)-2-butenedioic acid IUPAC Name: 3-(1H-1,2-benzodiazepin-5-yl)propan-1-amine; (E)-but-2-enedioic acid Traditional Name: 3-(1H-1,2-benzodiazepin-5-yl)propylamine; fumaric acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=NN2)CCCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=NN2)CCCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H15N3.C4H4O4/c13-8-3-4-10-7-9-14-15-12-6-2-1-5-11(10)12;5-3(6)1-2-4(7)8/h1-2,5-7,9,15H,3-4,8,13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+