N-[3,3-dimethyl-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

Systemtic Name: N-[3,3-dimethyl-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Openeye Name: N-[3,3-dimethyl-1-(1-oxidopyridin-1-ium-4-carbonyl)indolin-6-yl]-2-(4-pyridylmethylamino)pyridine-3-carboxamide CAS Name: N-[3,3-dimethyl-1-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide IUPAC Name: N-[3,3-dimethyl-1-(1-oxidopyridin-1-ium-4-carbonyl)-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Traditional Name: N-[3,3-dimethyl-1-(1-oxidopyridin-1-ium-4-carbonyl)indolin-6-yl]-2-(4-pyridylmethylamino)nicotinamide Formula: C28H26N6O3 MolecularWeight: 494.54444

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C(=O)C5=CC=[N+](C=C5)[O-])C

Isomeric SMILES

CC1(CN(C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C(=O)C5=CC=[N+](C=C5)[O-])C

InChI

InChI=1S/C28H26N6O3/c1-28(2)18-34(27(36)20-9-14-33(37)15-10-20)24-16-21(5-6-23(24)28)32-26(35)22-4-3-11-30-25(22)31-17-19-7-12-29-13-8-19/h3-16H,17-18H2,1-2H3,(H,30,31)(H,32,35)