ethyl 5-azanyl-1-[4-(3,4-dimethylphenyl)phthalazin-1-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(3,4-dimethylphenyl)phthalazin-1-yl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(3,4-dimethylphenyl)phthalazin-1-yl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-(3,4-dimethylphenyl)-1-phthalazinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(3,4-dimethylphenyl)phthalazin-1-yl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(3,4-dimethylphenyl)phthalazin-1-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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