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

Systemtic Name: N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-phthalazin-2-yl]ethanamide Openeye Name: N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-1-oxo-phthalazin-2-yl]acetamide CAS Name: N-[2-(1,2-dimethyl-3-indolyl)ethyl]-2-[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-oxo-2-phthalazinyl]acetamide IUPAC Name: N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-oxophthalazin-2-yl]acetamide Traditional Name: N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-[1-keto-4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-2-yl]acetamide Formula: C34H37N5O4S MolecularWeight: 611.75368

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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)N6CCCCC6

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)N6CCCCC6

InChI

InChI=1S/C34H37N5O4S/c1-23-15-16-25(21-31(23)44(42,43)38-19-9-4-10-20-38)33-28-12-5-6-13-29(28)34(41)39(36-33)22-32(40)35-18-17-26-24(2)37(3)30-14-8-7-11-27(26)30/h5-8,11-16,21H,4,9-10,17-20,22H2,1-3H3,(H,35,40)