3-(1H-1,2-benzodiazepin-6-yl)propan-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 3-(1H-1,2-benzodiazepin-6-yl)propan-1-amine; (E)-but-2-enedioic acid Openeye Name: 3-(1H-1,2-benzodiazepin-6-yl)propan-1-amine; fumaric acid CAS Name: 3-(1H-1,2-benzodiazepin-6-yl)-1-propanamine; (E)-2-butenedioic acid IUPAC Name: 3-(1H-1,2-benzodiazepin-6-yl)propan-1-amine; (E)-but-2-enedioic acid Traditional Name: 3-(1H-1,2-benzodiazepin-6-yl)propylamine; fumaric acid Formula: C16H19N3O4 MolecularWeight: 317.33976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CC=NNC2=C1)CCCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C2C=CC=NNC2=C1)CCCN.C(=C/C(=O)O)\C(=O)O

InChI

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