2-phenyl-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-phenyl-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-phenyl-4-[4-(3-thienylmethyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-2-phenyl-1-phthalazinone IUPAC Name: 2-phenyl-4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-phenyl-4-[4-(3-thenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O2S/c29-23-21-9-5-4-8-20(21)22(25-28(23)19-6-2-1-3-7-19)24(30)27-13-11-26(12-14-27)16-18-10-15-31-17-18/h1-10,15,17H,11-14,16H2