N-(2,5-dimethylphenyl)-4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-amine

Systemtic Name: N-(2,5-dimethylphenyl)-4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-amine Openeye Name: N-(2,5-dimethylphenyl)-4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-amine CAS Name: N-(2,5-dimethylphenyl)-4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1-phthalazinamine IUPAC Name: N-(2,5-dimethylphenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: (2,5-dimethylphenyl)-[4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-yl]amine Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H28N4O3S/c1-18-8-9-19(2)24(16-18)28-27-23-7-5-4-6-22(23)26(29-30-27)21-11-10-20(3)25(17-21)35(32,33)31-12-14-34-15-13-31/h4-11,16-17H,12-15H2,1-3H3,(H,28,30)