3-fluoranyl-1-(phenylmethyl)-3-prop-2-enyl-azepane

Systemtic Name: 3-fluoranyl-1-(phenylmethyl)-3-prop-2-enyl-azepane Openeye Name: 3-allyl-1-benzyl-3-fluoro-azepane CAS Name: 3-fluoro-1-(phenylmethyl)-3-prop-2-enylazepane IUPAC Name: 1-benzyl-3-fluoro-3-prop-2-enylazepane Traditional Name: 3-allyl-1-benzyl-3-fluoro-azepane Formula: C16H22FN MolecularWeight: 247.350983

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(CCCCN(C1)CC2=CC=CC=C2)F

Isomeric SMILES

C=CCC1(CCCCN(C1)CC2=CC=CC=C2)F

InChI

InChI=1S/C16H22FN/c1-2-10-16(17)11-6-7-12-18(14-16)13-15-8-4-3-5-9-15/h2-5,8-9H,1,6-7,10-14H2