N-(2-benzamidoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide

Systemtic Name: N-(2-benzamidoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide Openeye Name: N-(2-benzamidoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide CAS Name: N-(2-benzamidoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinolinecarboxamide IUPAC Name: N-(2-benzamidoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide Traditional Name: N-(2-benzamidoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cinchoninamide Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCNC(=O)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCNC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O4/c31-26(18-6-2-1-3-7-18)28-12-13-29-27(32)21-17-23(30-22-9-5-4-8-20(21)22)19-10-11-24-25(16-19)34-15-14-33-24/h1-11,16-17H,12-15H2,(H,28,31)(H,29,32)