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

Systemtic Name: 4-[2-(4-methoxyphenyl)azepan-1-yl]carbonyl-2-propyl-phthalazin-1-one Openeye Name: 4-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-propyl-phthalazin-1-one CAS Name: 4-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]-2-propyl-1-phthalazinone IUPAC Name: 4-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-propylphthalazin-1-one Traditional Name: 4-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-propyl-phthalazin-1-one Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29N3O3/c1-3-16-28-24(29)21-10-7-6-9-20(21)23(26-28)25(30)27-17-8-4-5-11-22(27)18-12-14-19(31-2)15-13-18/h6-7,9-10,12-15,22H,3-5,8,11,16-17H2,1-2H3