N-(4-methoxyphenyl)-4-[2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(4-methoxyphenyl)-4-[2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-(4-benzyl-1,4-diazepan-4-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide CAS Name: N-(4-methoxyphenyl)-4-[[1-oxo-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethyl]amino]benzamide IUPAC Name: 4-[[2-(4-benzyl-1,4-diazepan-4-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[2-(4-benzyl-1,4-diazepan-4-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Formula: C28H33N4O3+ MolecularWeight: 473.58662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CN3CCC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CN3CCC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O3/c1-35-26-14-12-25(13-15-26)30-28(34)23-8-10-24(11-9-23)29-27(33)21-32-17-5-16-31(18-19-32)20-22-6-3-2-4-7-22/h2-4,6-15H,5,16-21H2,1H3,(H,29,33)(H,30,34)/p+1