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

Systemtic Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxymethyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxymethyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-[[(2S)-1-methyl-2-pyrrolidinyl]methoxymethyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxymethyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxymethyl]-2-(2-thienyl)cinchoninamide Formula: C31H32FN3O2S MolecularWeight: 529.668083

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1COCC2=C(C3=CC=CC=C3N=C2C4=CC=CS4)C(=O)NC(C5CC5)C6=CC(=CC=C6)F

Isomeric SMILES

CN1CCC[C@H]1COCC2=C(C3=CC=CC=C3N=C2C4=CC=CS4)C(=O)NC(C5CC5)C6=CC(=CC=C6)F

InChI

InChI=1S/C31H32FN3O2S/c1-35-15-5-9-23(35)18-37-19-25-28(24-10-2-3-11-26(24)33-30(25)27-12-6-16-38-27)31(36)34-29(20-13-14-20)21-7-4-8-22(32)17-21/h2-4,6-8,10-12,16-17,20,23,29H,5,9,13-15,18-19H2,1H3,(H,34,36)/t23-,29?/m0/s1