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

Systemtic Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide CAS Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenyl-3-(1-piperazinylmethyl)-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide Traditional Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenyl-3-(piperazinomethyl)cinchoninamide Formula: C30H32N4O2 MolecularWeight: 480.60068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N4O2/c1-21(22-12-14-24(36-2)15-13-22)32-30(35)28-25-10-6-7-11-27(25)33-29(23-8-4-3-5-9-23)26(28)20-34-18-16-31-17-19-34/h3-15,21,31H,16-20H2,1-2H3,(H,32,35)/t21-/m0/s1