5,6-dimethyl-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-yl]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazinyl]-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pyridazine-4-carbonitrile Traditional Name: 5,6-dimethyl-3-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazino]pyridazine-4-carbonitrile Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)C4=NN=C(C(=C4C#N)C)C

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)C4=NN=C(C(=C4C#N)C)C

InChI

InChI=1S/C21H22N6O2S/c1-14-11-17-5-4-6-19(20(17)23-13-14)30(28,29)27-9-7-26(8-10-27)21-18(12-22)15(2)16(3)24-25-21/h4-6,11,13H,7-10H2,1-3H3