4-butyl-N-naphthalen-2-yl-azepane-1-carboxamide

Systemtic Name: 4-butyl-N-naphthalen-2-yl-azepane-1-carboxamide Openeye Name: 4-butyl-N-(2-naphthyl)azepane-1-carboxamide CAS Name: 4-butyl-N-(2-naphthalenyl)-1-azepanecarboxamide IUPAC Name: 4-butyl-N-naphthalen-2-ylazepane-1-carboxamide Traditional Name: 4-butyl-N-(2-naphthyl)azepane-1-carboxamide Formula: C21H28N2O MolecularWeight: 324.45982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCN(CC1)C(=O)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCC1CCCN(CC1)C(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H28N2O/c1-2-3-7-17-8-6-14-23(15-13-17)21(24)22-20-12-11-18-9-4-5-10-19(18)16-20/h4-5,9-12,16-17H,2-3,6-8,13-15H2,1H3,(H,22,24)