2-[[(2,2-dimethyl-1-thiophen-2-yl-propyl)amino]methyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[[(2,2-dimethyl-1-thiophen-2-yl-propyl)amino]methyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[[[2,2-dimethyl-1-(2-thienyl)propyl]amino]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]methyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]methyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[[[2,2-dimethyl-1-(2-thienyl)propyl]amino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CNC(C4=CC=CS4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CNC(C4=CC=CS4)C(C)(C)C

InChI

InChI=1S/C25H27N3OS/c1-17-11-13-18(14-12-17)22-19-8-5-6-9-20(19)24(29)28(27-22)16-26-23(25(2,3)4)21-10-7-15-30-21/h5-15,23,26H,16H2,1-4H3