butanedioic acid; 2-[[4-(1-methyl-4-pyridin-4-yl-pyrazol-3-yl)phenoxy]methyl]quinoline

Systemtic Name: butanedioic acid; 2-[[4-(1-methyl-4-pyridin-4-yl-pyrazol-3-yl)phenoxy]methyl]quinoline Openeye Name: 2-[[4-[1-methyl-4-(4-pyridyl)pyrazol-3-yl]phenoxy]methyl]quinoline; succinic acid CAS Name: butanedioic acid; 2-[[4-(1-methyl-4-pyridin-4-yl-3-pyrazolyl)phenoxy]methyl]quinoline IUPAC Name: butanedioic acid; 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline Traditional Name: 2-[[4-[1-methyl-4-(4-pyridyl)pyrazol-3-yl]phenoxy]methyl]quinoline; succinic acid Formula: C29H26N4O5 MolecularWeight: 510.54054

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5.C(CC(=O)O)C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C25H20N4O.C4H6O4/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21;5-3(6)1-2-4(7)8/h2-16H,17H2,1H3;1-2H2,(H,5,6)(H,7,8)