ethyl N-[4-cyano-5-methyl-1-[4-(phenylmethyl)phthalazin-1-yl]pyrazol-3-yl]methanimidate

Systemtic Name: ethyl N-[4-cyano-5-methyl-1-[4-(phenylmethyl)phthalazin-1-yl]pyrazol-3-yl]methanimidate Openeye Name: ethyl N-[1-(4-benzylphthalazin-1-yl)-4-cyano-5-methyl-pyrazol-3-yl]methanimidate CAS Name: N-[4-cyano-5-methyl-1-[4-(phenylmethyl)-1-phthalazinyl]-3-pyrazolyl]methanimidic acid ethyl ester IUPAC Name: ethyl N-[1-(4-benzylphthalazin-1-yl)-4-cyano-5-methylpyrazol-3-yl]methanimidate Traditional Name: N-[1-(4-benzylphthalazin-1-yl)-4-cyano-5-methyl-pyrazol-3-yl]formimidic acid ethyl ester Formula: C23H20N6O MolecularWeight: 396.4445

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NC1=NN(C(=C1C#N)C)C2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCOC=NC1=NN(C(=C1C#N)C)C2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H20N6O/c1-3-30-15-25-22-20(14-24)16(2)29(28-22)23-19-12-8-7-11-18(19)21(26-27-23)13-17-9-5-4-6-10-17/h4-12,15H,3,13H2,1-2H3