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

Systemtic Name: N-[3,3-dimethyl-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-2H-indol-6-yl]-2-[(2-methoxypyridin-4-yl)methylamino]pyridine-3-carboxamide Openeye Name: N-[3,3-dimethyl-1-(1-oxidopyridin-1-ium-4-carbonyl)indolin-6-yl]-2-[(2-methoxy-4-pyridyl)methylamino]pyridine-3-carboxamide CAS Name: N-[3,3-dimethyl-1-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-2H-indol-6-yl]-2-[(2-methoxy-4-pyridinyl)methylamino]-3-pyridinecarboxamide IUPAC Name: N-[3,3-dimethyl-1-(1-oxidopyridin-1-ium-4-carbonyl)-2H-indol-6-yl]-2-[(2-methoxypyridin-4-yl)methylamino]pyridine-3-carboxamide Traditional Name: N-[3,3-dimethyl-1-(1-oxidopyridin-1-ium-4-carbonyl)indolin-6-yl]-2-[(2-methoxy-4-pyridyl)methylamino]nicotinamide Formula: C29H28N6O4 MolecularWeight: 524.57042

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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)OC)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)OC)C(=O)C5=CC=[N+](C=C5)[O-])C

InChI

InChI=1S/C29H28N6O4/c1-29(2)18-35(28(37)20-9-13-34(38)14-10-20)24-16-21(6-7-23(24)29)33-27(36)22-5-4-11-31-26(22)32-17-19-8-12-30-25(15-19)39-3/h4-16H,17-18H2,1-3H3,(H,31,32)(H,33,36)