4-[(4-chlorophenyl)methyl]-2-[1-(3-cyclohexyl-3-oxidanylidene-propyl)azepan-4-yl]phthalazin-1-one

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-[1-(3-cyclohexyl-3-oxidanylidene-propyl)azepan-4-yl]phthalazin-1-one Openeye Name: 4-[(4-chlorophenyl)methyl]-2-[1-(3-cyclohexyl-3-oxo-propyl)azepan-4-yl]phthalazin-1-one CAS Name: 4-[(4-chlorophenyl)methyl]-2-[1-(3-cyclohexyl-3-oxopropyl)-4-azepanyl]-1-phthalazinone IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-[1-(3-cyclohexyl-3-oxopropyl)azepan-4-yl]phthalazin-1-one Traditional Name: 4-(4-chlorobenzyl)-2-[1-(3-cyclohexyl-3-keto-propyl)azepan-4-yl]phthalazin-1-one Formula: C30H36ClN3O2 MolecularWeight: 506.07874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)CCN2CCCC(CC2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)C(=O)CCN2CCCC(CC2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H36ClN3O2/c31-24-14-12-22(13-15-24)21-28-26-10-4-5-11-27(26)30(36)34(32-28)25-9-6-18-33(19-16-25)20-17-29(35)23-7-2-1-3-8-23/h4-5,10-15,23,25H,1-3,6-9,16-21H2