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

Systemtic Name: 2-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]phthalazin-1-one Openeye Name: 2-[[ethyl-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]amino]methyl]phthalazin-1-one CAS Name: 2-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-phthalazinone IUPAC Name: 2-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]phthalazin-1-one Traditional Name: 2-[[ethyl-[3-methoxy-4-(2-thenyloxy)benzyl]amino]methyl]phthalazin-1-one Formula: C24H25N3O3S MolecularWeight: 435.5386

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3S/c1-3-26(17-27-24(28)21-9-5-4-7-19(21)14-25-27)15-18-10-11-22(23(13-18)29-2)30-16-20-8-6-12-31-20/h4-14H,3,15-17H2,1-2H3