2-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[methyl-[(4-morpholinophenyl)methyl]amino]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[methyl-[[4-(4-morpholinyl)phenyl]methyl]amino]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[methyl-(4-morpholinobenzyl)amino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCOCC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCOCC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C25H26N4O2S/c1-27(17-19-8-10-20(11-9-19)28-12-14-31-15-13-28)18-29-25(30)22-6-3-2-5-21(22)24(26-29)23-7-4-16-32-23/h2-11,16H,12-15,17-18H2,1H3