N-[3-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide

Systemtic Name: N-[3-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide Openeye Name: N-[3-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide CAS Name: N-[3-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinolinecarboxamide IUPAC Name: N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide Traditional Name: N-[3-[(2-amino-2-keto-ethyl)carbamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cinchoninamide Formula: C27H22N4O5 MolecularWeight: 482.48738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC=CC(=C5)C(=O)NCC(=O)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC=CC(=C5)C(=O)NCC(=O)N

InChI

InChI=1S/C27H22N4O5/c28-25(32)15-29-26(33)17-4-3-5-18(12-17)30-27(34)20-14-22(31-21-7-2-1-6-19(20)21)16-8-9-23-24(13-16)36-11-10-35-23/h1-9,12-14H,10-11,15H2,(H2,28,32)(H,29,33)(H,30,34)