N-[(3-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-(3-chlorobenzyl)-2-[4-(4-methoxyphenyl)piperazino]cinchoninamide Formula: C28H27ClN4O2 MolecularWeight: 486.99258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H27ClN4O2/c1-35-23-11-9-22(10-12-23)32-13-15-33(16-14-32)27-18-25(24-7-2-3-8-26(24)31-27)28(34)30-19-20-5-4-6-21(29)17-20/h2-12,17-18H,13-16,19H2,1H3,(H,30,34)