(2Z)-N-(1-adamantyl)-4-(7-methoxy-3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)-4-oxidanylidene-2-(3-phenylpropoxyimino)butanamide

Systemtic Name: (2Z)-N-(1-adamantyl)-4-(7-methoxy-3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)-4-oxidanylidene-2-(3-phenylpropoxyimino)butanamide Openeye Name: (2Z)-N-(1-adamantyl)-4-(7-methoxy-3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)-4-oxo-2-(3-phenylpropoxyimino)butanamide CAS Name: (2Z)-N-(1-adamantyl)-4-(7-methoxy-3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)-4-oxo-2-(3-phenylpropoxyimino)butanamide IUPAC Name: (2Z)-N-(1-adamantyl)-4-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-4-oxo-2-(3-phenylpropoxyimino)butanamide Traditional Name: (2Z)-N-(1-adamantyl)-4-keto-4-(1-keto-7-methoxy-3-methyl-4-oxido-quinoxalin-1-ium-2-yl)-2-(3-phenylpropyloximino)butyramide Formula: C33H38N4O6 MolecularWeight: 586.67802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)CC(=NOCCCC3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)C/C(=N/OCCCC3=CC=CC=C3)/C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C33H38N4O6/c1-21-31(37(41)29-16-26(42-2)10-11-28(29)36(21)40)30(38)17-27(35-43-12-6-9-22-7-4-3-5-8-22)32(39)34-33-18-23-13-24(19-33)15-25(14-23)20-33/h3-5,7-8,10-11,16,23-25H,6,9,12-15,17-20H2,1-2H3,(H,34,39)/b35-27-