N-tert-butyl-2-[4-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C28H37N6O2+ MolecularWeight: 489.63238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H36N6O2/c1-28(2,3)30-27(36)21-33-16-10-15-32(17-18-33)20-26(35)29-25-19-24(22-11-6-4-7-12-22)31-34(25)23-13-8-5-9-14-23/h4-9,11-14,19H,10,15-18,20-21H2,1-3H3,(H,29,35)(H,30,36)/p+1