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

Systemtic Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-2-propan-2-yl-phthalazin-1-one Openeye Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2-isopropyl-phthalazin-1-one CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-4-(4-veratrylpiperazine-1-carbonyl)phthalazin-1-one Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H30N4O4/c1-17(2)29-24(30)20-8-6-5-7-19(20)23(26-29)25(31)28-13-11-27(12-14-28)16-18-9-10-21(32-3)22(15-18)33-4/h5-10,15,17H,11-14,16H2,1-4H3