N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yl-quinoline-4-carboxamide Openeye Name: 2-isopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]quinoline-4-carboxamide CAS Name: N-[3-methyl-4-(4-methyl-1-piperazinyl)phenyl]-2-propan-2-yl-4-quinolinecarboxamide IUPAC Name: N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-ylquinoline-4-carboxamide Traditional Name: 2-isopropyl-N-[3-methyl-4-(4-methylpiperazino)phenyl]cinchoninamide Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C(C)C)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C(C)C)N4CCN(CC4)C

InChI

InChI=1S/C25H30N4O/c1-17(2)23-16-21(20-7-5-6-8-22(20)27-23)25(30)26-19-9-10-24(18(3)15-19)29-13-11-28(4)12-14-29/h5-10,15-17H,11-14H2,1-4H3,(H,26,30)