N-(3-chloranyl-2-methyl-phenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-[6-(4-pyridylamino)pyridazin-3-yl]piperazine-1-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-4-[6-(pyridin-4-ylamino)-3-pyridazinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-[6-(4-pyridylamino)pyridazin-3-yl]piperazine-1-carboxamide Formula: C21H22ClN7O MolecularWeight: 423.89868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)NC4=CC=NC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)NC4=CC=NC=C4

InChI

InChI=1S/C21H22ClN7O/c1-15-17(22)3-2-4-18(15)25-21(30)29-13-11-28(12-14-29)20-6-5-19(26-27-20)24-16-7-9-23-10-8-16/h2-10H,11-14H2,1H3,(H,25,30)(H,23,24,26)