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

Systemtic Name: N-(2-methylpropyl)-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide Openeye Name: N-isobutyl-3-[(4-isopropylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-(2-methylpropyl)-2-phenyl-3-[(4-propan-2-yl-1-piperazinyl)methyl]-4-quinolinecarboxamide IUPAC Name: N-(2-methylpropyl)-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide Traditional Name: N-isobutyl-3-[(4-isopropylpiperazino)methyl]-2-phenyl-cinchoninamide Formula: C28H36N4O MolecularWeight: 444.61164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC=CC=C3)CN4CCN(CC4)C(C)C

Isomeric SMILES

CC(C)CNC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC=CC=C3)CN4CCN(CC4)C(C)C

InChI

InChI=1S/C28H36N4O/c1-20(2)18-29-28(33)26-23-12-8-9-13-25(23)30-27(22-10-6-5-7-11-22)24(26)19-31-14-16-32(17-15-31)21(3)4/h5-13,20-21H,14-19H2,1-4H3,(H,29,33)