2-(azepan-1-ylmethyl)-1-phenyl-butan-1-one

Systemtic Name: 2-(azepan-1-ylmethyl)-1-phenyl-butan-1-one Openeye Name: 2-(azepan-1-ylmethyl)-1-phenyl-butan-1-one CAS Name: 2-(1-azepanylmethyl)-1-phenyl-1-butanone IUPAC Name: 2-(azepan-1-ylmethyl)-1-phenylbutan-1-one Traditional Name: 2-(azepan-1-ylmethyl)-1-phenyl-butan-1-one Formula: C17H25NO MolecularWeight: 259.3865

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCCCCC1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(CN1CCCCCC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H25NO/c1-2-15(14-18-12-8-3-4-9-13-18)17(19)16-10-6-5-7-11-16/h5-7,10-11,15H,2-4,8-9,12-14H2,1H3