ethyl 4-[3-(2-imidazol-1-ylethyl)-4-oxidanylidene-phthalazin-1-yl]benzoate

Systemtic Name: ethyl 4-[3-(2-imidazol-1-ylethyl)-4-oxidanylidene-phthalazin-1-yl]benzoate Openeye Name: ethyl 4-[3-(2-imidazol-1-ylethyl)-4-oxo-phthalazin-1-yl]benzoate CAS Name: 4-[3-[2-(1-imidazolyl)ethyl]-4-oxo-1-phthalazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-imidazol-1-ylethyl)-4-oxophthalazin-1-yl]benzoate Traditional Name: 4-[3-(2-imidazol-1-ylethyl)-4-keto-phthalazin-1-yl]benzoic acid ethyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCN4C=CN=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCN4C=CN=C4

InChI

InChI=1S/C22H20N4O3/c1-2-29-22(28)17-9-7-16(8-10-17)20-18-5-3-4-6-19(18)21(27)26(24-20)14-13-25-12-11-23-15-25/h3-12,15H,2,13-14H2,1H3