N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]quinoline-2-carboxamide

Systemtic Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]quinoline-2-carboxamide Openeye Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methyleneamino]quinoline-2-carboxamide CAS Name: N-[(E)-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]quinoline-2-carboxamide Traditional Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]quinaldamide Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)C2=NC3=CC=CC=C3C=C2)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)C2=NC3=CC=CC=C3C=C2)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N6O/c1-18-21(17-26-28-24(32)23-14-13-19-9-5-6-12-22(19)27-23)25(30-15-7-8-16-30)31(29-18)20-10-3-2-4-11-20/h2-6,9-14,17H,7-8,15-16H2,1H3,(H,28,32)/b26-17+