4-(3,4-diethoxyphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(2-pyridyl)piperazin-1-yl]sulfonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-diethoxyphenyl)-2-[4-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-diethoxyphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(2-pyridyl)piperazino]sulfonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C33H37N5O5S MolecularWeight: 615.74238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C6=CC=CC=N6)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C6=CC=CC=N6)OCC

InChI

InChI=1S/C33H37N5O5S/c1-3-42-29-17-12-24(23-30(29)43-4-2)32-27-9-5-6-10-28(27)33(39)38(35-32)25-13-15-26(16-14-25)44(40,41)37-21-19-36(20-22-37)31-11-7-8-18-34-31/h5-8,11-18,23,27-28H,3-4,9-10,19-22H2,1-2H3