[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(2-thienyl)pyridazin-3-yl]-4-piperidyl]methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-[1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinyl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-[1-[6-(2-thienyl)pyridazin-3-yl]-4-piperidyl]methanone Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NN=C(C=C4)C5=CC=CS5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NN=C(C=C4)C5=CC=CS5

InChI

InChI=1S/C26H31N5OS/c1-19-5-6-20(2)23(18-19)29-13-15-31(16-14-29)26(32)21-9-11-30(12-10-21)25-8-7-22(27-28-25)24-4-3-17-33-24/h3-8,17-18,21H,9-16H2,1-2H3