2-[(4-chlorophenyl)methyl]-1-prop-2-enyl-azepane

Systemtic Name: 2-[(4-chlorophenyl)methyl]-1-prop-2-enyl-azepane Openeye Name: 1-allyl-2-[(4-chlorophenyl)methyl]azepane CAS Name: 2-[(4-chlorophenyl)methyl]-1-prop-2-enylazepane IUPAC Name: 2-[(4-chlorophenyl)methyl]-1-prop-2-enylazepane Traditional Name: 1-allyl-2-(4-chlorobenzyl)azepane Formula: C16H22ClN MolecularWeight: 263.80558

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCCCCC1CC2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCN1CCCCCC1CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H22ClN/c1-2-11-18-12-5-3-4-6-16(18)13-14-7-9-15(17)10-8-14/h2,7-10,16H,1,3-6,11-13H2