ethyl 4-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]amino]benzoate

Systemtic Name: ethyl 4-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]amino]benzoate Openeye Name: ethyl 4-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-(3,5-dimethyl-1-pyrazolyl)-1-phthalazinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]amino]benzoic acid ethyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)N4C(=CC(=N4)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)N4C(=CC(=N4)C)C

InChI

InChI=1S/C22H21N5O2/c1-4-29-22(28)16-9-11-17(12-10-16)23-20-18-7-5-6-8-19(18)21(25-24-20)27-15(3)13-14(2)26-27/h5-13H,4H2,1-3H3,(H,23,24)