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

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-4-phenethyloxy-quinazoline Openeye Name: fumaric acid; 2-(4-methylpiperazin-1-yl)-4-phenethyloxy-quinazoline CAS Name: (E)-2-butenedioic acid; 2-(4-methyl-1-piperazinyl)-4-phenethyloxyquinazoline IUPAC Name: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)-4-phenethyloxyquinazoline Traditional Name: fumaric acid; 2-(4-methylpiperazino)-4-phenethyloxy-quinazoline Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OCCC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OCCC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H24N4O.C4H4O4/c1-24-12-14-25(15-13-24)21-22-19-10-6-5-9-18(19)20(23-21)26-16-11-17-7-3-2-4-8-17;5-3(6)1-2-4(7)8/h2-10H,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+