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

Systemtic Name: butanedioic acid; 2-[[4-(1-methyl-4-pyridin-4-yl-pyrazol-3-yl)phenyl]methoxy]quinoline Openeye Name: 2-[[4-[1-methyl-4-(4-pyridyl)pyrazol-3-yl]phenyl]methoxy]quinoline; succinic acid CAS Name: butanedioic acid; 2-[[4-(1-methyl-4-pyridin-4-yl-3-pyrazolyl)phenyl]methoxy]quinoline IUPAC Name: butanedioic acid; 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methoxy]quinoline Traditional Name: 2-[4-[1-methyl-4-(4-pyridyl)pyrazol-3-yl]benzyl]oxyquinoline; succinic acid Formula: C54H46N8O6 MolecularWeight: 902.99304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)COC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5.CN1C=C(C(=N1)C2=CC=C(C=C2)COC3=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)COC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5.CN1C=C(C(=N1)C2=CC=C(C=C2)COC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5.C(CC(=O)O)C(=O)O

InChI

InChI=1S/2C25H20N4O.C4H6O4/c2*1-29-16-22(19-12-14-26-15-13-19)25(28-29)21-8-6-18(7-9-21)17-30-24-11-10-20-4-2-3-5-23(20)27-24;5-3(6)1-2-4(7)8/h2*2-16H,17H2,1H3;1-2H2,(H,5,6)(H,7,8)