2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[2-(4-methoxyphenyl)-1-pyrrolidinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[2-(4-methoxyphenyl)pyrrolidino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCN2CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCN2CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C24H23N3O2S/c1-29-18-12-10-17(11-13-18)21-8-4-14-26(21)16-27-24(28)20-7-3-2-6-19(20)23(25-27)22-9-5-15-30-22/h2-3,5-7,9-13,15,21H,4,8,14,16H2,1H3