4-(2,5-dimethylphenyl)-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[[ethyl(2-thienylmethyl)amino]methyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[[ethyl(2-thenyl)amino]methyl]phthalazin-1-one Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CS1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCN(CC1=CC=CS1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=C(C=CC(=C4)C)C

InChI

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