N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]quinoline-2-carboxamide

Systemtic Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]quinoline-2-carboxamide Openeye Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]quinoline-2-carboxamide CAS Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]quinoline-2-carboxamide Traditional Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]quinaldamide Formula: C27H21N5O2 MolecularWeight: 447.48794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=NC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3=NC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C27H21N5O2/c1-34-23-14-11-20(12-15-23)26-21(18-32(31-26)22-8-3-2-4-9-22)17-28-30-27(33)25-16-13-19-7-5-6-10-24(19)29-25/h2-18H,1H3,(H,30,33)/b28-17+