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

Systemtic Name: N-[(1S)-1-phenylpropyl]-3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-2-thiophen-3-yl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-phenylpropyl]-3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-2-(3-thienyl)quinoline-4-carboxamide CAS Name: N-[(1S)-1-phenylpropyl]-3-[[(2S)-2-pyrrolidinyl]methoxymethyl]-2-(3-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-phenylpropyl]-3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-2-thiophen-3-ylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-phenylpropyl]-3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-2-(3-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=CSC=C4)COCC5CCCN5

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O2S/c1-2-25(20-9-4-3-5-10-20)32-29(33)27-23-12-6-7-13-26(23)31-28(21-14-16-35-19-21)24(27)18-34-17-22-11-8-15-30-22/h3-7,9-10,12-14,16,19,22,25,30H,2,8,11,15,17-18H2,1H3,(H,32,33)/t22-,25-/m0/s1