2-(azepan-4-yl)-4-[(3,4-dichlorophenyl)methyl]phthalazin-1-one

Systemtic Name: 2-(azepan-4-yl)-4-[(3,4-dichlorophenyl)methyl]phthalazin-1-one Openeye Name: 2-(azepan-4-yl)-4-[(3,4-dichlorophenyl)methyl]phthalazin-1-one CAS Name: 2-(4-azepanyl)-4-[(3,4-dichlorophenyl)methyl]-1-phthalazinone IUPAC Name: 2-(azepan-4-yl)-4-[(3,4-dichlorophenyl)methyl]phthalazin-1-one Traditional Name: 2-(azepan-4-yl)-4-(3,4-dichlorobenzyl)phthalazin-1-one Formula: C21H21Cl2N3O MolecularWeight: 402.31694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CC(CCNC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O/c22-18-8-7-14(12-19(18)23)13-20-16-5-1-2-6-17(16)21(27)26(25-20)15-4-3-10-24-11-9-15/h1-2,5-8,12,15,24H,3-4,9-11,13H2