3-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-3-oxopropyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-keto-3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propyl]-2H-phthalazine-1,4-quinone Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C24H27N3O4/c1-31-18-12-10-17(11-13-18)21-9-3-2-6-15-26(21)22(28)14-16-27-24(30)20-8-5-4-7-19(20)23(29)25-27/h4-5,7-8,10-13,21H,2-3,6,9,14-16H2,1H3,(H,25,29)/t21-/m1/s1