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

Systemtic Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methyleneamino]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(E)-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]-2-(2-thienyl)cinchoninamide Formula: C29H26N6OS MolecularWeight: 506.62134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)N5CCCC5)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)N5CCCC5)C6=CC=CC=C6

InChI

InChI=1S/C29H26N6OS/c1-20-24(29(34-15-7-8-16-34)35(33-20)21-10-3-2-4-11-21)19-30-32-28(36)23-18-26(27-14-9-17-37-27)31-25-13-6-5-12-22(23)25/h2-6,9-14,17-19H,7-8,15-16H2,1H3,(H,32,36)/b30-19+