N-(3,4-dimethoxyphenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-[6-(4-pyridylamino)pyridazin-3-yl]piperazine-1-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-4-[6-(pyridin-4-ylamino)-3-pyridazinyl]-1-piperazinecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-[6-(4-pyridylamino)pyridazin-3-yl]piperazine-1-carboxamide Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)NC4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)NC4=CC=NC=C4)OC

InChI

InChI=1S/C22H25N7O3/c1-31-18-4-3-17(15-19(18)32-2)25-22(30)29-13-11-28(12-14-29)21-6-5-20(26-27-21)24-16-7-9-23-10-8-16/h3-10,15H,11-14H2,1-2H3,(H,25,30)(H,23,24,26)