N-[(5-methylfuran-2-yl)methyl]-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-[(5-methylfuran-2-yl)methyl]-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-[(5-methyl-2-furyl)methyl]quinoline-4-carboxamide CAS Name: N-[(5-methyl-2-furanyl)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-[(5-methyl-2-furyl)methyl]cinchoninamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-20-11-12-22(33-20)18-28-27(32)24-17-26(29-25-10-6-5-9-23(24)25)31-15-13-30(14-16-31)19-21-7-3-2-4-8-21/h2-12,17H,13-16,18-19H2,1H3,(H,28,32)