2-cyclopropyl-N-[(E)-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylideneamino]quinoline-4-carboxamide

Systemtic Name: 2-cyclopropyl-N-[(E)-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylideneamino]quinoline-4-carboxamide Openeye Name: 2-cyclopropyl-N-[(E)-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]quinoline-4-carboxamide CAS Name: 2-cyclopropyl-N-[(E)-(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-cyclopropyl-N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]quinoline-4-carboxamide Traditional Name: 2-cyclopropyl-N-[(E)-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]cinchoninamide Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)/C=N/NC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4)C

InChI

InChI=1S/C21H23N5O/c1-4-26-14(3)18(13(2)25-26)12-22-24-21(27)17-11-20(15-9-10-15)23-19-8-6-5-7-16(17)19/h5-8,11-12,15H,4,9-10H2,1-3H3,(H,24,27)/b22-12+