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

Systemtic Name: 3-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-keto-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethyl]-2H-phthalazine-1,4-quinone Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H25N3O4/c1-30-17-12-10-16(11-13-17)20-9-3-2-6-14-25(20)21(27)15-26-23(29)19-8-5-4-7-18(19)22(28)24-26/h4-5,7-8,10-13,20H,2-3,6,9,14-15H2,1H3,(H,24,28)/t20-/m1/s1