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

Systemtic Name: (E)-but-2-enedioic acid; 5-chloranyl-N-propyl-N-pyridin-4-yl-indol-1-amine Openeye Name: 5-chloro-N-propyl-N-(4-pyridyl)indol-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-chloro-N-propyl-N-pyridin-4-yl-1-indolamine IUPAC Name: (E)-but-2-enedioic acid; 5-chloro-N-propyl-N-pyridin-4-ylindol-1-amine Traditional Name: (5-chloroindol-1-yl)-propyl-(4-pyridyl)amine; fumaric acid Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3.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+