2-propan-2-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-propan-2-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-isopropyl-4-(4-tetralin-6-ylsulfonylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 4-[oxo-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]methyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 2-propan-2-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-isopropyl-4-(4-tetralin-6-ylsulfonylpiperazine-1-carbonyl)phthalazin-1-one Formula: C26H30N4O4S MolecularWeight: 494.6058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(CCCC5)C=C4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(CCCC5)C=C4

InChI

InChI=1S/C26H30N4O4S/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/h5-6,9-12,17-18H,3-4,7-8,13-16H2,1-2H3