(E)-but-2-enedioic acid; 7-chloranyl-N-prop-2-ynyl-N-pyrrol-1-yl-quinolin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 7-chloranyl-N-prop-2-ynyl-N-pyrrol-1-yl-quinolin-4-amine Openeye Name: 7-chloro-N-prop-2-ynyl-N-pyrrol-1-yl-quinolin-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 7-chloro-N-prop-2-ynyl-N-(1-pyrrolyl)-4-quinolinamine IUPAC Name: (E)-but-2-enedioic acid; 7-chloro-N-prop-2-ynyl-N-pyrrol-1-ylquinolin-4-amine Traditional Name: (7-chloro-4-quinolyl)-propargyl-pyrrol-1-yl-amine; fumaric acid Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(C1=C2C=CC(=CC2=NC=C1)Cl)N3C=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C#CCN(C1=C2C=CC(=CC2=NC=C1)Cl)N3C=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H12ClN3.C4H4O4/c1-2-9-20(19-10-3-4-11-19)16-7-8-18-15-12-13(17)5-6-14(15)16;5-3(6)1-2-4(7)8/h1,3-8,10-12H,9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+