6-chloranyl-N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]pyridazin-3-amine

Systemtic Name: 6-chloranyl-N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]pyridazin-3-amine Openeye Name: 6-chloro-N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]pyridazin-3-amine CAS Name: 6-chloro-N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-pyridazinamine IUPAC Name: 6-chloro-N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridazin-3-amine Traditional Name: (6-chloropyridazin-3-yl)-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]amine Formula: C21H17ClN6O MolecularWeight: 404.85228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=NNC3=NN=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC3=NN=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN6O/c1-29-18-9-7-15(8-10-18)21-16(13-23-25-20-12-11-19(22)24-26-20)14-28(27-21)17-5-3-2-4-6-17/h2-14H,1H3,(H,25,26)/b23-13+