(E)-but-2-enedioic acid; 4-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 4-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-2-amine Openeye Name: fumaric acid; 4-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-2-amine CAS Name: (E)-2-butenedioic acid; 4-methyl-N-[3-(4-phenyl-1-piperazinyl)propyl]-2-quinolinamine IUPAC Name: (E)-but-2-enedioic acid; 4-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-2-amine Traditional Name: fumaric acid; (4-methyl-2-quinolyl)-[3-(4-phenylpiperazino)propyl]amine Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)NCCCN3CCN(CC3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)NCCCN3CCN(CC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H28N4.C4H4O4/c1-19-18-23(25-22-11-6-5-10-21(19)22)24-12-7-13-26-14-16-27(17-15-26)20-8-3-2-4-9-20;5-3(6)1-2-4(7)8/h2-6,8-11,18H,7,12-17H2,1H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1+