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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-[1-(2-dimethylaminoethyl)azepan-4-yl]phthalazin-1-one Openeye Name: 4-[(4-chlorophenyl)methyl]-2-[1-(2-dimethylaminoethyl)azepan-4-yl]phthalazin-1-one CAS Name: 4-[(4-chlorophenyl)methyl]-2-[1-(2-dimethylaminoethyl)-4-azepanyl]-1-phthalazinone IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-[1-(2-dimethylaminoethyl)azepan-4-yl]phthalazin-1-one Traditional Name: 4-(4-chlorobenzyl)-2-[1-(2-dimethylaminoethyl)azepan-4-yl]phthalazin-1-one Formula: C25H31ClN4O MolecularWeight: 438.99284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C)CCN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H31ClN4O/c1-28(2)16-17-29-14-5-6-21(13-15-29)30-25(31)23-8-4-3-7-22(23)24(27-30)18-19-9-11-20(26)12-10-19/h3-4,7-12,21H,5-6,13-18H2,1-2H3