3-cyclohexyl-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-cyclohexyl-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one Openeye Name: 3-cyclohexyl-1-[4-[6-(4-pyridylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one CAS Name: 3-cyclohexyl-1-[4-[6-(pyridin-4-ylamino)-3-pyridazinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-cyclohexyl-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one Traditional Name: 3-cyclohexyl-1-[4-[6-(4-pyridylamino)pyridazin-3-yl]piperazino]propan-1-one Formula: C22H30N6O MolecularWeight: 394.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)N2CCN(CC2)C3=NN=C(C=C3)NC4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)CCC(=O)N2CCN(CC2)C3=NN=C(C=C3)NC4=CC=NC=C4

InChI

InChI=1S/C22H30N6O/c29-22(9-6-18-4-2-1-3-5-18)28-16-14-27(15-17-28)21-8-7-20(25-26-21)24-19-10-12-23-13-11-19/h7-8,10-13,18H,1-6,9,14-17H2,(H,23,24,25)