(2S)-2-[(4-methylphenyl)methyl]azepane

Systemtic Name: (2S)-2-[(4-methylphenyl)methyl]azepane Openeye Name: (2S)-2-(p-tolylmethyl)azepane CAS Name: (2S)-2-[(4-methylphenyl)methyl]azepane IUPAC Name: (2S)-2-[(4-methylphenyl)methyl]azepane Traditional Name: (2S)-2-(4-methylbenzyl)azepane Formula: C14H21N MolecularWeight: 203.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2CCCCCN2

Isomeric SMILES

CC1=CC=C(C=C1)C[C@@H]2CCCCCN2

InChI

InChI=1S/C14H21N/c1-12-6-8-13(9-7-12)11-14-5-3-2-4-10-15-14/h6-9,14-15H,2-5,10-11H2,1H3/t14-/m0/s1