4-(2,5-dimethylphenyl)-2-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[[methyl-[(3-methyl-2-thienyl)methyl]amino]methyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[[methyl-[(3-methyl-2-thiophenyl)methyl]amino]methyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[[methyl-[(3-methyl-2-thienyl)methyl]amino]methyl]phthalazin-1-one Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CC4=C(C=CS4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CC4=C(C=CS4)C

InChI

InChI=1S/C24H25N3OS/c1-16-9-10-17(2)21(13-16)23-19-7-5-6-8-20(19)24(28)27(25-23)15-26(4)14-22-18(3)11-12-29-22/h5-13H,14-15H2,1-4H3