N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2-oxidanylideneethyl)-2-[3-oxidanylidene-5-phenyl-1-[1-(phenylmethyl)pyridin-1-ium-3-yl]carbonyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenyl-propanamide

Systemtic Name: N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2-oxidanylideneethyl)-2-[3-oxidanylidene-5-phenyl-1-[1-(phenylmethyl)pyridin-1-ium-3-yl]carbonyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenyl-propanamide Openeye Name: 2-[1-(1-benzylpyridin-1-ium-3-carbonyl)-2-isopropyl-3-oxo-5-phenyl-2H-pyrazin-4-yl]-N-(4,4-dimethyl-5H-oxazol-2-yl)-N-(2-oxoethyl)-3-phenyl-propanamide CAS Name: N-(4,4-dimethyl-5H-oxazol-2-yl)-N-(2-oxoethyl)-2-[3-oxo-1-[oxo-[1-(phenylmethyl)-3-pyridin-1-iumyl]methyl]-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-3-phenylpropanamide IUPAC Name: 2-[1-(1-benzylpyridin-1-ium-3-carbonyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-(2-oxoethyl)-3-phenylpropanamide Traditional Name: 2-[1-(1-benzylpyridin-1-ium-3-carbonyl)-2-isopropyl-3-keto-5-phenyl-2H-pyrazin-4-yl]-N-(4,4-dimethyl-2-oxazolin-2-yl)-N-(2-ketoethyl)-3-phenyl-propionamide Formula: C42H44N5O5+ MolecularWeight: 698.82926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=CN1C(=O)C2=C[N+](=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4)C(CC5=CC=CC=C5)C(=O)N(CC=O)C6=NC(CO6)(C)C

Isomeric SMILES

CC(C)C1C(=O)N(C(=CN1C(=O)C2=C[N+](=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4)C(CC5=CC=CC=C5)C(=O)N(CC=O)C6=NC(CO6)(C)C

InChI

InChI=1S/C42H44N5O5/c1-30(2)37-40(51)47(35(25-31-15-8-5-9-16-31)39(50)45(23-24-48)41-43-42(3,4)29-52-41)36(33-19-12-7-13-20-33)28-46(37)38(49)34-21-14-22-44(27-34)26-32-17-10-6-11-18-32/h5-22,24,27-28,30,35,37H,23,25-26,29H2,1-4H3/q+1