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

Systemtic Name: N-pentan-3-yl-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide Openeye Name: N-(1-ethylpropyl)-3-[(4-isopropylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-pentan-3-yl-2-phenyl-3-[(4-propan-2-yl-1-piperazinyl)methyl]-4-quinolinecarboxamide IUPAC Name: N-pentan-3-yl-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide Traditional Name: N-(1-ethylpropyl)-3-[(4-isopropylpiperazino)methyl]-2-phenyl-cinchoninamide Formula: C29H38N4O MolecularWeight: 458.63822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O/c1-5-23(6-2)30-29(34)27-24-14-10-11-15-26(24)31-28(22-12-8-7-9-13-22)25(27)20-32-16-18-33(19-17-32)21(3)4/h7-15,21,23H,5-6,16-20H2,1-4H3,(H,30,34)