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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-phthalazin-2-yl]ethanamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-1-oxo-phthalazin-2-yl]acetamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-oxo-2-phthalazinyl]acetamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-oxophthalazin-2-yl]acetamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[1-keto-4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-2-yl]acetamide Formula: C34H40N4O6S MolecularWeight: 632.7696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCCCC5)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCCCC5)OCC

InChI

InChI=1S/C34H40N4O6S/c1-4-43-29-16-14-25(21-30(29)44-5-2)17-18-35-32(39)23-38-34(40)28-12-8-7-11-27(28)33(36-38)26-15-13-24(3)31(22-26)45(41,42)37-19-9-6-10-20-37/h7-8,11-16,21-22H,4-6,9-10,17-20,23H2,1-3H3,(H,35,39)