4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-(4-veratrylpiperazine-1-carbonyl)phthalazin-1-one Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)OC

InChI

InChI=1S/C29H30N4O4/c1-36-25-13-12-22(18-26(25)37-2)19-31-14-16-32(17-15-31)29(35)27-23-10-6-7-11-24(23)28(34)33(30-27)20-21-8-4-3-5-9-21/h3-13,18H,14-17,19-20H2,1-2H3