N-(2-cyanophenyl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanophenyl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(2-cyanophenyl)acetamide CAS Name: N-(2-cyanophenyl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(2-cyanophenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(2-cyanophenyl)acetamide Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CC(=O)NC2=CC=CC=C2C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)CC(=O)NC2=CC=CC=C2C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O/c22-15-19-9-4-5-10-20(19)23-21(26)17-25-12-6-11-24(13-14-25)16-18-7-2-1-3-8-18/h1-5,7-10H,6,11-14,16-17H2,(H,23,26)/p+1