4-(5-ethylthiophen-2-yl)-2-(2-imidazol-1-ylethyl)-7-methoxy-phthalazin-1-one

Systemtic Name: 4-(5-ethylthiophen-2-yl)-2-(2-imidazol-1-ylethyl)-7-methoxy-phthalazin-1-one Openeye Name: 4-(5-ethyl-2-thienyl)-2-(2-imidazol-1-ylethyl)-7-methoxy-phthalazin-1-one CAS Name: 4-(5-ethyl-2-thiophenyl)-2-[2-(1-imidazolyl)ethyl]-7-methoxy-1-phthalazinone IUPAC Name: 4-(5-ethylthiophen-2-yl)-2-(2-imidazol-1-ylethyl)-7-methoxyphthalazin-1-one Traditional Name: 4-(5-ethyl-2-thienyl)-2-(2-imidazol-1-ylethyl)-7-methoxy-phthalazin-1-one Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NN(C(=O)C3=C2C=CC(=C3)OC)CCN4C=CN=C4

Isomeric SMILES

CCC1=CC=C(S1)C2=NN(C(=O)C3=C2C=CC(=C3)OC)CCN4C=CN=C4

InChI

InChI=1S/C20H20N4O2S/c1-3-15-5-7-18(27-15)19-16-6-4-14(26-2)12-17(16)20(25)24(22-19)11-10-23-9-8-21-13-23/h4-9,12-13H,3,10-11H2,1-2H3