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

Systemtic Name: 4-[2-(4-methoxyphenyl)azepan-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2H-phthalazin-1-one Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H23N3O3/c1-28-16-12-10-15(11-13-16)19-9-3-2-6-14-25(19)22(27)20-17-7-4-5-8-18(17)21(26)24-23-20/h4-5,7-8,10-13,19H,2-3,6,9,14H2,1H3,(H,24,26)