3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-(2-methoxyphenyl)propanamide

Systemtic Name: 3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-(2-methoxyphenyl)propanamide Openeye Name: 3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-(2-methoxyphenyl)propanamide CAS Name: 3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-(2-methoxyphenyl)propanamide IUPAC Name: 3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-(2-methoxyphenyl)propanamide Traditional Name: 3-[4-(4-cyanobenzyl)-1,4-diazepan-4-ium-1-yl]-N-(2-methoxyphenyl)propionamide Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CCN2CCC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CCN2CCC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H28N4O2/c1-29-22-6-3-2-5-21(22)25-23(28)11-14-26-12-4-13-27(16-15-26)18-20-9-7-19(17-24)8-10-20/h2-3,5-10H,4,11-16,18H2,1H3,(H,25,28)/p+1