4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrophthalazin-1-one

Systemtic Name: 4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrophthalazin-1-one Openeye Name: 4-(4-methyl-3-morpholinosulfonyl-phenyl)-2-(m-tolylmethyl)-5,6,7,8-tetrahydrophthalazin-1-one CAS Name: 4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrophthalazin-1-one IUPAC Name: 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrophthalazin-1-one Traditional Name: 2-(3-methylbenzyl)-4-(4-methyl-3-morpholinosulfonyl-phenyl)-5,6,7,8-tetrahydrophthalazin-1-one Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=O)C3=C(CCCC3)C(=N2)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=O)C3=C(CCCC3)C(=N2)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H31N3O4S/c1-19-6-5-7-21(16-19)18-30-27(31)24-9-4-3-8-23(24)26(28-30)22-11-10-20(2)25(17-22)35(32,33)29-12-14-34-15-13-29/h5-7,10-11,16-17H,3-4,8-9,12-15,18H2,1-2H3