N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(1-oxidanidylpyridin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(1-oxidanidylpyridin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(1-oxidopyridin-1-ium-4-yl)oxy-benzamide CAS Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[(1-oxido-4-pyridin-1-iumyl)oxy]benzamide IUPAC Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(1-oxidopyridin-1-ium-4-yl)oxybenzamide Traditional Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(1-oxidopyridin-1-ium-4-yl)oxy-benzamide Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC2=CC3=C(C=C2)NC=C3C#N)OC4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC2=CC3=C(C=C2)NC=C3C#N)OC4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C23H18N4O3/c24-14-18-15-26-22-6-1-16(13-21(18)22)7-10-25-23(28)17-2-4-19(5-3-17)30-20-8-11-27(29)12-9-20/h1-6,8-9,11-13,15,26H,7,10H2,(H,25,28)