4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(1-azepanylsulfonyl)-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H25N5O4S/c25-18-16-8-4-3-7-15(16)17(20-21-18)19(26)22-11-13-24(14-12-22)29(27,28)23-9-5-1-2-6-10-23/h3-4,7-8H,1-2,5-6,9-14H2,(H,21,25)