4-[(3,4-dichlorophenyl)methyl]-2-(1-phenethylazepan-4-yl)phthalazin-1-one

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl]-2-(1-phenethylazepan-4-yl)phthalazin-1-one Openeye Name: 4-[(3,4-dichlorophenyl)methyl]-2-(1-phenethylazepan-4-yl)phthalazin-1-one CAS Name: 4-[(3,4-dichlorophenyl)methyl]-2-(1-phenethyl-4-azepanyl)-1-phthalazinone IUPAC Name: 4-[(3,4-dichlorophenyl)methyl]-2-(1-phenethylazepan-4-yl)phthalazin-1-one Traditional Name: 4-(3,4-dichlorobenzyl)-2-(1-phenethylazepan-4-yl)phthalazin-1-one Formula: C29H29Cl2N3O MolecularWeight: 506.46606

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H29Cl2N3O/c30-26-13-12-22(19-27(26)31)20-28-24-10-4-5-11-25(24)29(35)34(32-28)23-9-6-16-33(18-15-23)17-14-21-7-2-1-3-8-21/h1-5,7-8,10-13,19,23H,6,9,14-18,20H2