ethyl 5-[(E)-dimethylaminomethylideneamino]-1-(4-phenylphthalazin-1-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(E)-dimethylaminomethylideneamino]-1-(4-phenylphthalazin-1-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(E)-dimethylaminomethyleneamino]-1-(4-phenylphthalazin-1-yl)pyrazole-4-carboxylate CAS Name: 5-[(E)-dimethylaminomethylideneamino]-1-(4-phenyl-1-phthalazinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-dimethylaminomethylideneamino]-1-(4-phenylphthalazin-1-yl)pyrazole-4-carboxylate Traditional Name: 5-[(E)-dimethylaminomethyleneamino]-1-(4-phenylphthalazin-1-yl)pyrazole-4-carboxylic acid ethyl ester Formula: C23H22N6O2 MolecularWeight: 414.45978

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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=CC=C4)N=CN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O2/c1-4-31-23(30)19-14-25-29(21(19)24-15-28(2)3)22-18-13-9-8-12-17(18)20(26-27-22)16-10-6-5-7-11-16/h5-15H,4H2,1-3H3/b24-15+