4-(4-methylphenyl)-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 4-(p-tolyl)-2-[[4-(3-thienylmethyl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 4-(p-tolyl)-2-[[4-(3-thenyl)piperazino]methyl]phthalazin-1-one Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)CC5=CSC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)CC5=CSC=C5

InChI

InChI=1S/C25H26N4OS/c1-19-6-8-21(9-7-19)24-22-4-2-3-5-23(22)25(30)29(26-24)18-28-13-11-27(12-14-28)16-20-10-15-31-17-20/h2-10,15,17H,11-14,16,18H2,1H3