3-cyclohexyl-5-phenyl-1-propyl-azepan-2-one

Systemtic Name: 3-cyclohexyl-5-phenyl-1-propyl-azepan-2-one Openeye Name: 3-cyclohexyl-5-phenyl-1-propyl-azepan-2-one CAS Name: 3-cyclohexyl-5-phenyl-1-propyl-2-azepanone IUPAC Name: 3-cyclohexyl-5-phenyl-1-propylazepan-2-one Traditional Name: 3-cyclohexyl-5-phenyl-1-propyl-azepan-2-one Formula: C21H31NO MolecularWeight: 313.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC(C1=O)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCCN1CCC(CC(C1=O)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H31NO/c1-2-14-22-15-13-19(17-9-5-3-6-10-17)16-20(21(22)23)18-11-7-4-8-12-18/h3,5-6,9-10,18-20H,2,4,7-8,11-16H2,1H3