2-(phenylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonyl-phthalazin-1-one

Systemtic Name: 2-(phenylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(2-thenoyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3S/c30-23-20-10-5-4-9-19(20)22(26-29(23)17-18-7-2-1-3-8-18)25(32)28-14-12-27(13-15-28)24(31)21-11-6-16-33-21/h1-11,16H,12-15,17H2