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

Systemtic Name: 2-[1-(2-azanylethanoyl)azepan-4-yl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one Openeye Name: 2-[1-(2-aminoacetyl)azepan-4-yl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one CAS Name: 2-[1-(2-amino-1-oxoethyl)-4-azepanyl]-4-[(4-chlorophenyl)methyl]-1-phthalazinone IUPAC Name: 2-[1-(2-aminoacetyl)azepan-4-yl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one Traditional Name: 4-(4-chlorobenzyl)-2-(1-glycylazepan-4-yl)phthalazin-1-one Formula: C23H25ClN4O2 MolecularWeight: 424.9232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)CN)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC(CCN(C1)C(=O)CN)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4O2/c24-17-9-7-16(8-10-17)14-21-19-5-1-2-6-20(19)23(30)28(26-21)18-4-3-12-27(13-11-18)22(29)15-25/h1-2,5-10,18H,3-4,11-15,25H2