2-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-quinoline-4-carboxamide

Systemtic Name: 2-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-quinoline-4-carboxamide Openeye Name: 2-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-quinoline-4-carboxamide CAS Name: 2-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-quinolinecarboxamide IUPAC Name: 2-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-6-methylquinoline-4-carboxamide Traditional Name: 2-(4-acetamidophenyl)-6-methyl-N-piperonyl-cinchoninamide Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)NC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)NC(=O)C

InChI

InChI=1S/C27H23N3O4/c1-16-3-9-23-21(11-16)22(13-24(30-23)19-5-7-20(8-6-19)29-17(2)31)27(32)28-14-18-4-10-25-26(12-18)34-15-33-25/h3-13H,14-15H2,1-2H3,(H,28,32)(H,29,31)