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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=C2CCCC3)CCC4=CC=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=C2CCCC3)CCC4=CC=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H31N3O4S/c1-20-11-12-22(19-25(20)35(32,33)29-15-17-34-18-16-29)26-23-9-5-6-10-24(23)27(31)30(28-26)14-13-21-7-3-2-4-8-21/h2-4,7-8,11-12,19H,5-6,9-10,13-18H2,1H3