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

Systemtic Name: N-tert-butyl-2-[4-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C26H41N6O2+ MolecularWeight: 469.64274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CN2CCC[NH+](CC2)CC(=O)NC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CN2CCC[NH+](CC2)CC(=O)NC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H40N6O2/c1-25(2,3)21-17-22(32(29-21)20-11-8-7-9-12-20)27-23(33)18-30-13-10-14-31(16-15-30)19-24(34)28-26(4,5)6/h7-9,11-12,17H,10,13-16,18-19H2,1-6H3,(H,27,33)(H,28,34)/p+1