(E)-but-2-enedioic acid; 7-chloranyl-N-(2-ethylpyrrol-1-yl)-N-methyl-quinolin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 7-chloranyl-N-(2-ethylpyrrol-1-yl)-N-methyl-quinolin-4-amine Openeye Name: 7-chloro-N-(2-ethylpyrrol-1-yl)-N-methyl-quinolin-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 7-chloro-N-(2-ethyl-1-pyrrolyl)-N-methyl-4-quinolinamine IUPAC Name: (E)-but-2-enedioic acid; 7-chloro-N-(2-ethylpyrrol-1-yl)-N-methylquinolin-4-amine Traditional Name: (7-chloro-4-quinolyl)-(2-ethylpyrrol-1-yl)-methyl-amine; fumaric acid Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CN1N(C)C2=C3C=CC(=CC3=NC=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=CN1N(C)C2=C3C=CC(=CC3=NC=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H16ClN3.C4H4O4/c1-3-13-5-4-10-20(13)19(2)16-8-9-18-15-11-12(17)6-7-14(15)16;5-3(6)1-2-4(7)8/h4-11H,3H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+