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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-(4-chlorobenzyl)cinchoninamide Formula: C28H27ClN4O MolecularWeight: 470.99318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H27ClN4O/c29-23-12-10-21(11-13-23)19-30-28(34)25-18-27(31-26-9-5-4-8-24(25)26)33-16-14-32(15-17-33)20-22-6-2-1-3-7-22/h1-13,18H,14-17,19-20H2,(H,30,34)