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

Systemtic Name: 2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-(m-tolylmethyl)piperazin-1-yl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[4-(3-methylbenzyl)piperazino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

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