N-[3-[butyl-(phenylmethyl)amino]propyl]-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[3-[butyl-(phenylmethyl)amino]propyl]-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-[3-[benzyl(butyl)amino]propyl]-2-(5-chloro-2-thienyl)quinoline-4-carboxamide CAS Name: N-[3-[butyl-(phenylmethyl)amino]propyl]-2-(5-chloro-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-[benzyl(butyl)amino]propyl]-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-[3-[benzyl(butyl)amino]propyl]-2-(5-chloro-2-thienyl)cinchoninamide Formula: C28H30ClN3OS MolecularWeight: 492.0753

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCCCN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C28H30ClN3OS/c1-2-3-17-32(20-21-10-5-4-6-11-21)18-9-16-30-28(33)23-19-25(26-14-15-27(29)34-26)31-24-13-8-7-12-22(23)24/h4-8,10-15,19H,2-3,9,16-18,20H2,1H3,(H,30,33)