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

Systemtic Name: 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxymethyl]-N-[(1S)-1-phenylpropyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxymethyl]-N-[(1S)-1-phenylpropyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: 3-[[(2S)-1-methyl-2-pyrrolidinyl]methoxymethyl]-N-[(1S)-1-phenylpropyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxymethyl]-N-[(1S)-1-phenylpropyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxymethyl]-N-[(1S)-1-phenylpropyl]-2-(2-thienyl)cinchoninamide Formula: C30H33N3O2S MolecularWeight: 499.66692

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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)COCC5CCCN5C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)COC[C@@H]5CCCN5C

InChI

InChI=1S/C30H33N3O2S/c1-3-25(21-11-5-4-6-12-21)32-30(34)28-23-14-7-8-15-26(23)31-29(27-16-10-18-36-27)24(28)20-35-19-22-13-9-17-33(22)2/h4-8,10-12,14-16,18,22,25H,3,9,13,17,19-20H2,1-2H3,(H,32,34)/t22-,25-/m0/s1