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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-[1-(1-methoxyethyl)azepan-4-yl]phthalazin-1-one Openeye Name: 4-[(4-chlorophenyl)methyl]-2-[1-(1-methoxyethyl)azepan-4-yl]phthalazin-1-one CAS Name: 4-[(4-chlorophenyl)methyl]-2-[1-(1-methoxyethyl)-4-azepanyl]-1-phthalazinone IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-[1-(1-methoxyethyl)azepan-4-yl]phthalazin-1-one Traditional Name: 4-(4-chlorobenzyl)-2-[1-(1-methoxyethyl)azepan-4-yl]phthalazin-1-one Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

CC(N1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C24H28ClN3O2/c1-17(30-2)27-14-5-6-20(13-15-27)28-24(29)22-8-4-3-7-21(22)23(26-28)16-18-9-11-19(25)12-10-18/h3-4,7-12,17,20H,5-6,13-16H2,1-2H3