N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-2-(4-pyridyl)cinchoninamide Formula: C29H31N5O MolecularWeight: 465.58934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O/c35-29(26-21-28(24-11-14-30-15-12-24)32-27-10-5-4-9-25(26)27)31-13-6-16-33-17-19-34(20-18-33)22-23-7-2-1-3-8-23/h1-5,7-12,14-15,21H,6,13,16-20,22H2,(H,31,35)