2-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[[ethyl-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]amino]methyl]-4-methyl-phthalazin-1-one CAS Name: 2-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]-4-methylphthalazin-1-one Traditional Name: 2-[[ethyl-[3-methoxy-4-(2-thenyloxy)benzyl]amino]methyl]-4-methyl-phthalazin-1-one Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC2=CC=CS2)OC)CN3C(=O)C4=CC=CC=C4C(=N3)C

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC2=CC=CS2)OC)CN3C(=O)C4=CC=CC=C4C(=N3)C

InChI

InChI=1S/C25H27N3O3S/c1-4-27(17-28-25(29)22-10-6-5-9-21(22)18(2)26-28)15-19-11-12-23(24(14-19)30-3)31-16-20-8-7-13-32-20/h5-14H,4,15-17H2,1-3H3