(6E)-6-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2,3-dihydrophthalazin-1-yl]imino]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[4-(4-methyl-3-piperidinosulfonyl-phenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,4-dien-1-one Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C3C=CC=CC3=C(NN2)N=C4C=CC=CC4=O)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C3C=CC=CC3=C(NN2)/N=C/4\C=CC=CC4=O)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C26H26N4O3S/c1-18-13-14-19(17-24(18)34(32,33)30-15-7-2-8-16-30)25-20-9-3-4-10-21(20)26(29-28-25)27-22-11-5-6-12-23(22)31/h3-6,9-14,17,28-29H,2,7-8,15-16H2,1H3/b27-22+