N-(3-bromophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-amine

Systemtic Name: N-(3-bromophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-amine Openeye Name: N-(3-bromophenyl)-4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-amine CAS Name: N-(3-bromophenyl)-4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1-phthalazinamine IUPAC Name: N-(3-bromophenyl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: (3-bromophenyl)-[4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-yl]amine Formula: C25H23BrN4O3S MolecularWeight: 539.44412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Br)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Br)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H23BrN4O3S/c1-17-9-10-18(15-23(17)34(31,32)30-11-13-33-14-12-30)24-21-7-2-3-8-22(21)25(29-28-24)27-20-6-4-5-19(26)16-20/h2-10,15-16H,11-14H2,1H3,(H,27,29)