N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]propyl]-2-p-phenetyl-cinchoninamide Formula: C31H33ClN4O2 MolecularWeight: 529.07232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C31H33ClN4O2/c1-2-38-26-13-11-23(12-14-26)30-22-28(27-9-3-4-10-29(27)34-30)31(37)33-15-6-16-35-17-19-36(20-18-35)25-8-5-7-24(32)21-25/h3-5,7-14,21-22H,2,6,15-20H2,1H3,(H,33,37)