6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxidanylidene-butyl]-5,7-dimethyl-3-phenyl-pyrrolo[3,4-d]pyridazin-4-one

Systemtic Name: 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxidanylidene-butyl]-5,7-dimethyl-3-phenyl-pyrrolo[3,4-d]pyridazin-4-one Openeye Name: 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxo-butyl]-5,7-dimethyl-3-phenyl-pyrrolo[3,4-d]pyridazin-4-one CAS Name: 6-[4-(4-cyclohexyl-1-piperazinyl)-4-oxobutyl]-5,7-dimethyl-3-phenyl-4-pyrrolo[3,4-d]pyridazinone IUPAC Name: 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one Traditional Name: 6-[4-(4-cyclohexylpiperazino)-4-keto-butyl]-5,7-dimethyl-3-phenyl-pyrrolo[3,4-d]pyridazin-4-one Formula: C28H37N5O2 MolecularWeight: 475.62568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C(=O)C2=C(N1CCCC(=O)N3CCN(CC3)C4CCCCC4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=C2C=NN(C(=O)C2=C(N1CCCC(=O)N3CCN(CC3)C4CCCCC4)C)C5=CC=CC=C5

InChI

InChI=1S/C28H37N5O2/c1-21-25-20-29-33(24-12-7-4-8-13-24)28(35)27(25)22(2)32(21)15-9-14-26(34)31-18-16-30(17-19-31)23-10-5-3-6-11-23/h4,7-8,12-13,20,23H,3,5-6,9-11,14-19H2,1-2H3