2-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-4-ium-1-yl]ethanoylamino]-N-phenyl-benzamide

Systemtic Name: 2-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-4-ium-1-yl]ethanoylamino]-N-phenyl-benzamide Openeye Name: 2-[[2-[4-[2-(tert-butylamino)-2-oxo-ethyl]-1,4-diazepan-4-ium-1-yl]acetyl]amino]-N-phenyl-benzamide CAS Name: 2-[[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-4-ium-1-yl]-1-oxoethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-4-ium-1-yl]acetyl]amino]-N-phenylbenzamide Traditional Name: 2-[[2-[4-[2-(tert-butylamino)-2-keto-ethyl]-1,4-diazepan-4-ium-1-yl]acetyl]amino]-N-phenyl-benzamide Formula: C26H36N5O3+ MolecularWeight: 466.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C26H35N5O3/c1-26(2,3)29-24(33)19-31-15-9-14-30(16-17-31)18-23(32)28-22-13-8-7-12-21(22)25(34)27-20-10-5-4-6-11-20/h4-8,10-13H,9,14-19H2,1-3H3,(H,27,34)(H,28,32)(H,29,33)/p+1