4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethyl]-2H-phthalazin-1-one Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H25N3O3/c1-29-17-12-10-16(11-13-17)21-9-3-2-6-14-26(21)22(27)15-20-18-7-4-5-8-19(18)23(28)25-24-20/h4-5,7-8,10-13,21H,2-3,6,9,14-15H2,1H3,(H,25,28)/t21-/m1/s1