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

Systemtic Name: butyl 4-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O2/c1-4-5-14-31-24(30)18-10-12-19(13-11-18)25-22-20-8-6-7-9-21(20)23(27-26-22)29-17(3)15-16(2)28-29/h6-13,15H,4-5,14H2,1-3H3,(H,25,26)