2-(3,5-dimethylphenoxy)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(3,5-dimethylphenoxy)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(3,5-dimethylphenoxy)-1-[4-(6-phenyl-3-pyridazinyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(3,5-dimethylphenoxy)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(3,5-dimethylphenoxy)-1-[4-(6-phenylpyridazin-3-yl)piperazino]propan-1-one Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(C)C(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(C)C(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O2/c1-18-15-19(2)17-22(16-18)31-20(3)25(30)29-13-11-28(12-14-29)24-10-9-23(26-27-24)21-7-5-4-6-8-21/h4-10,15-17,20H,11-14H2,1-3H3