5,7-dimethyl-6-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]-3-phenyl-pyrrolo[3,4-d]pyridazin-4-one

Systemtic Name: 5,7-dimethyl-6-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]-3-phenyl-pyrrolo[3,4-d]pyridazin-4-one Openeye Name: 5,7-dimethyl-3-phenyl-6-[1-(4-phenylpiperazine-1-carbonyl)propyl]pyrrolo[3,4-d]pyridazin-4-one CAS Name: 5,7-dimethyl-6-[1-oxo-1-(4-phenyl-1-piperazinyl)butan-2-yl]-3-phenyl-4-pyrrolo[3,4-d]pyridazinone IUPAC Name: 5,7-dimethyl-6-[1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]-3-phenylpyrrolo[3,4-d]pyridazin-4-one Traditional Name: 5,7-dimethyl-3-phenyl-6-[1-(4-phenylpiperazine-1-carbonyl)propyl]pyrrolo[3,4-d]pyridazin-4-one Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(=C4C=NN(C(=O)C4=C3C)C5=CC=CC=C5)C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(=C4C=NN(C(=O)C4=C3C)C5=CC=CC=C5)C

InChI

InChI=1S/C28H31N5O2/c1-4-25(27(34)31-17-15-30(16-18-31)22-11-7-5-8-12-22)32-20(2)24-19-29-33(23-13-9-6-10-14-23)28(35)26(24)21(32)3/h5-14,19,25H,4,15-18H2,1-3H3