4-[(4-chlorophenyl)methyl]-2-(1-phenethylazepan-4-yl)phthalazin-1-one

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-(1-phenethylazepan-4-yl)phthalazin-1-one Openeye Name: 4-[(4-chlorophenyl)methyl]-2-(1-phenethylazepan-4-yl)phthalazin-1-one CAS Name: 4-[(4-chlorophenyl)methyl]-2-(1-phenethyl-4-azepanyl)-1-phthalazinone IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-phenethylazepan-4-yl)phthalazin-1-one Traditional Name: 4-(4-chlorobenzyl)-2-(1-phenethylazepan-4-yl)phthalazin-1-one Formula: C29H30ClN3O MolecularWeight: 472.021

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)CCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC(CCN(C1)CCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H30ClN3O/c30-24-14-12-23(13-15-24)21-28-26-10-4-5-11-27(26)29(34)33(31-28)25-9-6-18-32(20-17-25)19-16-22-7-2-1-3-8-22/h1-5,7-8,10-15,25H,6,9,16-21H2