6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-one

Systemtic Name: 6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-one Openeye Name: 6-[2-(azepan-1-yl)-2-oxo-ethyl]-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-one CAS Name: 6-[2-(1-azepanyl)-2-oxoethyl]-3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinone IUPAC Name: 6-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one Traditional Name: 6-[2-(azepan-1-yl)-2-keto-ethyl]-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-one Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CC(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CC(=O)N4CCCCCC4)C

InChI

InChI=1S/C21H25N5O2/c1-15-19-16(2)26(17-10-6-5-7-11-17)23-20(19)21(28)25(22-15)14-18(27)24-12-8-3-4-9-13-24/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3