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

Systemtic Name: N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]quinoline-2-carboxamide Openeye Name: N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]quinoline-2-carboxamide CAS Name: N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]quinoline-2-carboxamide Traditional Name: N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]quinaldamide Formula: C28H23N5O3 MolecularWeight: 477.51392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23N5O3/c1-35-25-15-13-20(16-26(25)36-2)27-21(18-33(32-27)22-9-4-3-5-10-22)17-29-31-28(34)24-14-12-19-8-6-7-11-23(19)30-24/h3-18H,1-2H3,(H,31,34)/b29-17+