2-[(3,4-dimethoxyphenyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethoxyanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethoxyanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethoxyanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethoxyanilino)-N-[3-(4-methylpiperazino)propyl]cinchoninamide Formula: C26H33N5O3 MolecularWeight: 463.57192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H33N5O3/c1-30-13-15-31(16-14-30)12-6-11-27-26(32)21-18-25(29-22-8-5-4-7-20(21)22)28-19-9-10-23(33-2)24(17-19)34-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3,(H,27,32)(H,28,29)