2-(4-acetamidophenyl)-6-methyl-N-(3-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide

Systemtic Name: 2-(4-acetamidophenyl)-6-methyl-N-(3-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide Openeye Name: 2-(4-acetamidophenyl)-6-methyl-N-(3-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide CAS Name: 2-(4-acetamidophenyl)-6-methyl-N-[3-(1-pyrrolidinyl)butyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-acetamidophenyl)-6-methyl-N-(3-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide Traditional Name: 2-(4-acetamidophenyl)-6-methyl-N-(3-pyrrolidinobutyl)cinchoninamide Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCC(C)N3CCCC3)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCC(C)N3CCCC3)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C27H32N4O2/c1-18-6-11-25-23(16-18)24(27(33)28-13-12-19(2)31-14-4-5-15-31)17-26(30-25)21-7-9-22(10-8-21)29-20(3)32/h6-11,16-17,19H,4-5,12-15H2,1-3H3,(H,28,33)(H,29,32)