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

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-[(2,4-dimethylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-(2,4-dimethylanilino)-4-quinolinecarboxamide IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]propyl]-2-(2,4-dimethylanilino)cinchoninamide Formula: C31H34ClN5O MolecularWeight: 528.08756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCN(CC4)C5=CC(=CC=C5)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCN(CC4)C5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C31H34ClN5O/c1-22-11-12-28(23(2)19-22)34-30-21-27(26-9-3-4-10-29(26)35-30)31(38)33-13-6-14-36-15-17-37(18-16-36)25-8-5-7-24(32)20-25/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,33,38)(H,34,35)