(E)-but-2-enedioic acid; 4-heptoxy-2-(4-methylpiperazin-1-yl)quinazoline

Systemtic Name: (E)-but-2-enedioic acid; 4-heptoxy-2-(4-methylpiperazin-1-yl)quinazoline Openeye Name: fumaric acid; 4-heptoxy-2-(4-methylpiperazin-1-yl)quinazoline CAS Name: (E)-2-butenedioic acid; 4-heptoxy-2-(4-methyl-1-piperazinyl)quinazoline IUPAC Name: (E)-but-2-enedioic acid; 4-heptoxy-2-(4-methylpiperazin-1-yl)quinazoline Traditional Name: fumaric acid; 4-heptoxy-2-(4-methylpiperazino)quinazoline Formula: C24H34N4O5 MolecularWeight: 458.55056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H30N4O.C4H4O4/c1-3-4-5-6-9-16-25-19-17-10-7-8-11-18(17)21-20(22-19)24-14-12-23(2)13-15-24;5-3(6)1-2-4(7)8/h7-8,10-11H,3-6,9,12-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+