N-(2,3-dimethylphenyl)-2-[4-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[[1-oxo-4-(2-thienyl)phthalazin-2-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(1-oxo-4-thiophen-2-yl-2-phthalazinyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(1-oxo-4-thiophen-2-ylphthalazin-2-yl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[[1-keto-4-(2-thienyl)phthalazin-2-yl]methyl]piperazino]acetamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5)C

InChI

InChI=1S/C27H29N5O2S/c1-19-7-5-10-23(20(19)2)28-25(33)17-30-12-14-31(15-13-30)18-32-27(34)22-9-4-3-8-21(22)26(29-32)24-11-6-16-35-24/h3-11,16H,12-15,17-18H2,1-2H3,(H,28,33)