2-[[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-[(3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(3,5-dimethoxybenzoyl)piperazino]methyl]phthalazin-1-one Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C=N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C=N3)OC

InChI

InChI=1S/C22H24N4O4/c1-29-18-11-17(12-19(13-18)30-2)21(27)25-9-7-24(8-10-25)15-26-22(28)20-6-4-3-5-16(20)14-23-26/h3-6,11-14H,7-10,15H2,1-2H3