2-[4-(propanoylamino)phenyl]-N-(3-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide

Systemtic Name: 2-[4-(propanoylamino)phenyl]-N-(3-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide Openeye Name: 2-[4-(propanoylamino)phenyl]-N-(3-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide CAS Name: 2-[4-(1-oxopropylamino)phenyl]-N-[3-(1-pyrrolidinyl)butyl]-4-quinolinecarboxamide IUPAC Name: 2-[4-(propanoylamino)phenyl]-N-(3-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide Traditional Name: 2-(4-propionamidophenyl)-N-(3-pyrrolidinobutyl)cinchoninamide Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC(C)N4CCCC4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC(C)N4CCCC4

InChI

InChI=1S/C27H32N4O2/c1-3-26(32)29-21-12-10-20(11-13-21)25-18-23(22-8-4-5-9-24(22)30-25)27(33)28-15-14-19(2)31-16-6-7-17-31/h4-5,8-13,18-19H,3,6-7,14-17H2,1-2H3,(H,28,33)(H,29,32)