N-[3-(4-iodophenyl)-1-oxidanylidene-1-(propylamino)propan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[3-(4-iodophenyl)-1-oxidanylidene-1-(propylamino)propan-2-yl]quinoline-2-carboxamide Openeye Name: N-[1-[(4-iodophenyl)methyl]-2-oxo-2-(propylamino)ethyl]quinoline-2-carboxamide CAS Name: N-[3-(4-iodophenyl)-1-oxo-1-(propylamino)propan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[3-(4-iodophenyl)-1-oxo-1-(propylamino)propan-2-yl]quinoline-2-carboxamide Traditional Name: N-[1-(4-iodobenzyl)-2-keto-2-(propylamino)ethyl]quinaldamide Formula: C22H22IN3O2 MolecularWeight: 487.33345

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(CC1=CC=C(C=C1)I)NC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCNC(=O)C(CC1=CC=C(C=C1)I)NC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22IN3O2/c1-2-13-24-21(27)20(14-15-7-10-17(23)11-8-15)26-22(28)19-12-9-16-5-3-4-6-18(16)25-19/h3-12,20H,2,13-14H2,1H3,(H,24,27)(H,26,28)