4-[4-methyl-3-(3-methylpiperidin-1-yl)sulfonyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

Systemtic Name: 4-[4-methyl-3-(3-methylpiperidin-1-yl)sulfonyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Openeye Name: 4-[4-methyl-3-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one CAS Name: 4-[4-methyl-3-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one IUPAC Name: 4-[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Traditional Name: 4-[4-methyl-3-(3-methylpiperidino)sulfonyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C4=C3CCCC4)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C4=C3CCCC4)C

InChI

InChI=1S/C21H27N3O3S/c1-14-6-5-11-24(13-14)28(26,27)19-12-16(10-9-15(19)2)20-17-7-3-4-8-18(17)21(25)23-22-20/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,23,25)