methanoic acid; 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(4-methyl-2-phenyl-piperazin-1-yl)pyridazine

Systemtic Name: methanoic acid; 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(4-methyl-2-phenyl-piperazin-1-yl)pyridazine Openeye Name: formic acid; 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(4-methyl-2-phenyl-piperazin-1-yl)pyridazine CAS Name: formic acid; 3-[3-methoxy-4-(4-methyl-1-imidazolyl)phenyl]-6-(4-methyl-2-phenyl-1-piperazinyl)pyridazine IUPAC Name: formic acid; 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(4-methyl-2-phenylpiperazin-1-yl)pyridazine Traditional Name: formic acid; 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(4-methyl-2-phenyl-piperazino)pyridazine Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=C(C=C(C=C2)C3=NN=C(C=C3)N4CCN(CC4C5=CC=CC=C5)C)OC.C(=O)O

Isomeric SMILES

CC1=CN(C=N1)C2=C(C=C(C=C2)C3=NN=C(C=C3)N4CCN(CC4C5=CC=CC=C5)C)OC.C(=O)O

InChI

InChI=1S/C26H28N6O.CH2O2/c1-19-16-31(18-27-19)23-11-9-21(15-25(23)33-3)22-10-12-26(29-28-22)32-14-13-30(2)17-24(32)20-7-5-4-6-8-20;2-1-3/h4-12,15-16,18,24H,13-14,17H2,1-3H3;1H,(H,2,3)