N-[(1S)-1-(3-hydroxyphenyl)ethyl]-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-(3-hydroxyphenyl)ethyl]-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(3-hydroxyphenyl)ethyl]-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide CAS Name: N-[(1S)-1-(3-hydroxyphenyl)ethyl]-2-phenyl-3-(1-piperazinylmethyl)-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-(3-hydroxyphenyl)ethyl]-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide Traditional Name: N-[(1S)-1-(3-hydroxyphenyl)ethyl]-2-phenyl-3-(piperazinomethyl)cinchoninamide Formula: C29H30N4O2 MolecularWeight: 466.5741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)O)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCNCC5

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)O)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCNCC5

InChI

InChI=1S/C29H30N4O2/c1-20(22-10-7-11-23(34)18-22)31-29(35)27-24-12-5-6-13-26(24)32-28(21-8-3-2-4-9-21)25(27)19-33-16-14-30-15-17-33/h2-13,18,20,30,34H,14-17,19H2,1H3,(H,31,35)/t20-/m0/s1