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

Systemtic Name: 2-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-4-ium-1-yl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-[4-[2-(tert-butylamino)-2-oxo-ethyl]-1,4-diazepan-4-ium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-4-ium-1-yl]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-4-ium-1-yl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[4-[2-(tert-butylamino)-2-keto-ethyl]-1,4-diazepan-4-ium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide Formula: C23H36N5O3+ MolecularWeight: 430.56364

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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)NC3CC3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3

InChI

InChI=1S/C23H35N5O3/c1-23(2,3)26-21(30)16-28-12-6-11-27(13-14-28)15-20(29)25-19-8-5-4-7-18(19)22(31)24-17-9-10-17/h4-5,7-8,17H,6,9-16H2,1-3H3,(H,24,31)(H,25,29)(H,26,30)/p+1