6,7-dimethoxy-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]phthalazin-1-one

Systemtic Name: 6,7-dimethoxy-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6,7-dimethoxy-phthalazin-1-one CAS Name: 6,7-dimethoxy-2-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6,7-dimethoxyphthalazin-1-one Traditional Name: 2-[2-(4-benzylpiperazino)ethyl]-6,7-dimethoxy-phthalazin-1-one Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=NN(C2=O)CCN3CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=NN(C2=O)CCN3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C23H28N4O3/c1-29-21-14-19-16-24-27(23(28)20(19)15-22(21)30-2)13-12-25-8-10-26(11-9-25)17-18-6-4-3-5-7-18/h3-7,14-16H,8-13,17H2,1-2H3