5-bromanyl-N-propyl-N-pyridin-4-yl-indol-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 5-bromanyl-N-propyl-N-pyridin-4-yl-indol-1-amine; (E)-but-2-enedioic acid Openeye Name: 5-bromo-N-propyl-N-(4-pyridyl)indol-1-amine; fumaric acid CAS Name: 5-bromo-N-propyl-N-pyridin-4-yl-1-indolamine; (E)-2-butenedioic acid IUPAC Name: 5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine; (E)-but-2-enedioic acid Traditional Name: (5-bromoindol-1-yl)-propyl-(4-pyridyl)amine; fumaric acid Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=NC=C1)N2C=CC3=C2C=CC(=C3)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN(C1=CC=NC=C1)N2C=CC3=C2C=CC(=C3)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H16BrN3.C4H4O4/c1-2-10-19(15-5-8-18-9-6-15)20-11-7-13-12-14(17)3-4-16(13)20;5-3(6)1-2-4(7)8/h3-9,11-12H,2,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+