4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]carbonyl-2-(2-methylpropyl)phthalazin-1-one

Systemtic Name: 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]carbonyl-2-(2-methylpropyl)phthalazin-1-one Openeye Name: 2-isobutyl-4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]phthalazin-1-one CAS Name: 4-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]-2-(2-methylpropyl)-1-phthalazinone IUPAC Name: 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one Traditional Name: 2-isobutyl-4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]phthalazin-1-one Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCCC[C@@H]3C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H31N3O3/c1-18(2)17-29-25(30)22-10-7-6-9-21(22)24(27-29)26(31)28-16-8-4-5-11-23(28)19-12-14-20(32-3)15-13-19/h6-7,9-10,12-15,18,23H,4-5,8,11,16-17H2,1-3H3/t23-/m1/s1