N-tert-butyl-2-[4-[2-(phenylcarbonyl)phenyl]carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(phenylcarbonyl)phenyl]carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2-benzoylbenzoyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[(2-benzoylphenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide IUPAC Name: 2-[4-(2-benzoylbenzoyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(2-benzoylbenzoyl)-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O3/c1-25(2,3)26-22(29)18-27-14-9-15-28(17-16-27)24(31)21-13-8-7-12-20(21)23(30)19-10-5-4-6-11-19/h4-8,10-13H,9,14-18H2,1-3H3,(H,26,29)/p+1