N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-[4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-1-oxidanylidene-phthalazin-2-yl]ethanamide

Systemtic Name: N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-[4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-1-oxidanylidene-phthalazin-2-yl]ethanamide Openeye Name: N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-[4-(4-methyl-3-morpholinosulfonyl-phenyl)-1-oxo-phthalazin-2-yl]acetamide CAS Name: N-[2-(1,2-dimethyl-3-indolyl)ethyl]-2-[4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1-oxo-2-phthalazinyl]acetamide IUPAC Name: N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-oxophthalazin-2-yl]acetamide Traditional Name: N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-[1-keto-4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-2-yl]acetamide Formula: C33H35N5O5S MolecularWeight: 613.7265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NCCC4=C(N(C5=CC=CC=C54)C)C)S(=O)(=O)N6CCOCC6

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NCCC4=C(N(C5=CC=CC=C54)C)C)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C33H35N5O5S/c1-22-12-13-24(20-30(22)44(41,42)37-16-18-43-19-17-37)32-27-9-4-5-10-28(27)33(40)38(35-32)21-31(39)34-15-14-25-23(2)36(3)29-11-7-6-8-26(25)29/h4-13,20H,14-19,21H2,1-3H3,(H,34,39)