ethyl 1-(5-ethylthiophen-2-yl)-3-(2-imidazol-1-ylethyl)-4-oxidanylidene-phthalazine-6-carboxylate

Systemtic Name: ethyl 1-(5-ethylthiophen-2-yl)-3-(2-imidazol-1-ylethyl)-4-oxidanylidene-phthalazine-6-carboxylate Openeye Name: ethyl 1-(5-ethyl-2-thienyl)-3-(2-imidazol-1-ylethyl)-4-oxo-phthalazine-6-carboxylate CAS Name: 1-(5-ethyl-2-thiophenyl)-3-[2-(1-imidazolyl)ethyl]-4-oxo-6-phthalazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-ethylthiophen-2-yl)-3-(2-imidazol-1-ylethyl)-4-oxophthalazine-6-carboxylate Traditional Name: 1-(5-ethyl-2-thienyl)-3-(2-imidazol-1-ylethyl)-4-keto-phthalazine-6-carboxylic acid ethyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S/c1-3-16-6-8-19(30-16)20-17-7-5-15(22(28)29-4-2)13-18(17)21(27)26(24-20)12-11-25-10-9-23-14-25/h5-10,13-14H,3-4,11-12H2,1-2H3