2-[[2-(4-chloranylphenoxy)ethyl-methyl-amino]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[2-(4-chloranylphenoxy)ethyl-methyl-amino]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[2-(4-chlorophenoxy)ethyl-methyl-amino]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[2-(4-chlorophenoxy)ethyl-methyl-amino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Cl)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Cl)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C22H20ClN3O2S/c1-25(12-13-28-17-10-8-16(23)9-11-17)15-26-22(27)19-6-3-2-5-18(19)21(24-26)20-7-4-14-29-20/h2-11,14H,12-13,15H2,1H3