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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-[1-(cyclopropylmethyl)azepan-4-yl]phthalazin-1-one Openeye Name: 4-[(4-chlorophenyl)methyl]-2-[1-(cyclopropylmethyl)azepan-4-yl]phthalazin-1-one CAS Name: 4-[(4-chlorophenyl)methyl]-2-[1-(cyclopropylmethyl)-4-azepanyl]-1-phthalazinone IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-[1-(cyclopropylmethyl)azepan-4-yl]phthalazin-1-one Traditional Name: 4-(4-chlorobenzyl)-2-[1-(cyclopropylmethyl)azepan-4-yl]phthalazin-1-one Formula: C25H28ClN3O MolecularWeight: 421.96232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)CC2CC2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC(CCN(C1)CC2CC2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H28ClN3O/c26-20-11-9-18(10-12-20)16-24-22-5-1-2-6-23(22)25(30)29(27-24)21-4-3-14-28(15-13-21)17-19-7-8-19/h1-2,5-6,9-12,19,21H,3-4,7-8,13-17H2