N-[(1S)-1-phenylpropyl]-3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-phenylpropyl]-3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-phenylpropyl]-3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(1S)-1-phenylpropyl]-3-[[(2S)-2-pyrrolidinyl]methoxymethyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-phenylpropyl]-3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-phenylpropyl]-3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-2-(2-thienyl)cinchoninamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)COCC5CCCN5

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)COC[C@@H]5CCCN5

InChI

InChI=1S/C29H31N3O2S/c1-2-24(20-10-4-3-5-11-20)32-29(33)27-22-13-6-7-14-25(22)31-28(26-15-9-17-35-26)23(27)19-34-18-21-12-8-16-30-21/h3-7,9-11,13-15,17,21,24,30H,2,8,12,16,18-19H2,1H3,(H,32,33)/t21-,24-/m0/s1