4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonyl-2-propan-2-yl-phthalazin-1-one

Systemtic Name: 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonyl-2-propan-2-yl-phthalazin-1-one Openeye Name: 2-isopropyl-4-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-4-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H26N4O4S/c1-18(2)30-25(31)23-10-6-5-9-22(23)24(27-30)26(32)28-13-15-29(16-14-28)35(33,34)21-12-11-19-7-3-4-8-20(19)17-21/h3-12,17-18H,13-16H2,1-2H3