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

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-(2-ethoxybenzyl)cinchoninamide Formula: C30H32N4O2 MolecularWeight: 480.60068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O2/c1-2-36-28-15-9-6-12-24(28)21-31-30(35)26-20-29(32-27-14-8-7-13-25(26)27)34-18-16-33(17-19-34)22-23-10-4-3-5-11-23/h3-15,20H,2,16-19,21-22H2,1H3,(H,31,35)