5,6-dimethyl-3-[4-(phenylcarbonyl)piperazin-1-yl]pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-3-[4-(phenylcarbonyl)piperazin-1-yl]pyridazine-4-carbonitrile Openeye Name: 3-(4-benzoylpiperazin-1-yl)-5,6-dimethyl-pyridazine-4-carbonitrile CAS Name: 3-(4-benzoyl-1-piperazinyl)-5,6-dimethyl-4-pyridazinecarbonitrile IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile Traditional Name: 3-(4-benzoylpiperazino)-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C18H19N5O MolecularWeight: 321.37636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN=C1C)N2CCN(CC2)C(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=NN=C1C)N2CCN(CC2)C(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H19N5O/c1-13-14(2)20-21-17(16(13)12-19)22-8-10-23(11-9-22)18(24)15-6-4-3-5-7-15/h3-7H,8-11H2,1-2H3