4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2,3-dihydrophthalazin-1-yl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(4-methyl-3-piperidinosulfonyl-phenyl)-2,3-dihydrophthalazin-1-yl]imino]cyclohexa-2,5-dien-1-one Formula: C26H26N4O3S MolecularWeight: 474.57464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C3C=CC=CC3=C(NN2)N=C4C=CC(=O)C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C3C=CC=CC3=C(NN2)N=C4C=CC(=O)C=C4)S(=O)(=O)N5CCCCC5

InChI

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