4-[(4-cyanophenyl)methyl]-N-naphthalen-1-yl-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-naphthalen-1-yl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-(1-naphthyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-(1-naphthalenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-naphthalen-1-yl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(4-cyanobenzyl)-N-(1-naphthyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C24H25N4O+ MolecularWeight: 385.4815

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H24N4O/c25-17-19-9-11-20(12-10-19)18-27-13-4-14-28(16-15-27)24(29)26-23-8-3-6-21-5-1-2-7-22(21)23/h1-3,5-12H,4,13-16,18H2,(H,26,29)/p+1