4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2-propyl-phthalazin-1-one

Systemtic Name: 4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2-propyl-phthalazin-1-one Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-2-propyl-phthalazin-1-one CAS Name: 4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-2-propyl-1-phthalazinone IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-2-propylphthalazin-1-one Traditional Name: 4-(4-p-anisyl-1,4-diazepane-1-carbonyl)-2-propyl-phthalazin-1-one Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H30N4O3/c1-3-13-29-24(30)22-8-5-4-7-21(22)23(26-29)25(31)28-15-6-14-27(16-17-28)18-19-9-11-20(32-2)12-10-19/h4-5,7-12H,3,6,13-18H2,1-2H3