2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C23H29N5O3S2 MolecularWeight: 487.63806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C23H29N5O3S2/c29-23-20-9-4-3-8-19(20)22(21-10-7-17-32-21)24-28(23)18-25-13-15-27(16-14-25)33(30,31)26-11-5-1-2-6-12-26/h3-4,7-10,17H,1-2,5-6,11-16,18H2