2-tert-butyl-1-methyl-3-(phenylmethyl)azepane

Systemtic Name: 2-tert-butyl-1-methyl-3-(phenylmethyl)azepane Openeye Name: 3-benzyl-2-tert-butyl-1-methyl-azepane CAS Name: 2-tert-butyl-1-methyl-3-(phenylmethyl)azepane IUPAC Name: 3-benzyl-2-tert-butyl-1-methylazepane Traditional Name: 3-benzyl-2-tert-butyl-1-methyl-azepane Formula: C18H29N MolecularWeight: 259.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(CCCCN1C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1C(CCCCN1C)CC2=CC=CC=C2

InChI

InChI=1S/C18H29N/c1-18(2,3)17-16(12-8-9-13-19(17)4)14-15-10-6-5-7-11-15/h5-7,10-11,16-17H,8-9,12-14H2,1-4H3