2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-N-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: 2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-N-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: 2-phenyl-3-[[4-(1-piperidyl)-1-piperidyl]methyl]-N-(2-thienyl)quinoline-4-carboxamide CAS Name: 2-phenyl-3-[[4-(1-piperidinyl)-1-piperidinyl]methyl]-N-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: 2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-N-thiophen-2-ylquinoline-4-carboxamide Traditional Name: 2-phenyl-3-[(4-piperidinopiperidino)methyl]-N-(2-thienyl)cinchoninamide Formula: C31H34N4OS MolecularWeight: 510.69286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)NC6=CC=CS6

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)NC6=CC=CS6

InChI

InChI=1S/C31H34N4OS/c36-31(33-28-14-9-21-37-28)29-25-12-5-6-13-27(25)32-30(23-10-3-1-4-11-23)26(29)22-34-19-15-24(16-20-34)35-17-7-2-8-18-35/h1,3-6,9-14,21,24H,2,7-8,15-20,22H2,(H,33,36)