2-[(3R,5S)-3,5-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanenitrile

Systemtic Name: 2-[(3R,5S)-3,5-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanenitrile Openeye Name: 2-[(3R,5S)-3,5-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetonitrile CAS Name: 2-[(3R,5S)-3,5-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetonitrile IUPAC Name: 2-[(3R,5S)-3,5-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetonitrile Traditional Name: 2-[(3R,5S)-3,5-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetonitrile Formula: C14H18N2 MolecularWeight: 214.30612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC=CC=C2N(C1)CC#N)C

Isomeric SMILES

C[C@@H]1C[C@@H](C2=CC=CC=C2N(C1)CC#N)C

InChI

InChI=1S/C14H18N2/c1-11-9-12(2)13-5-3-4-6-14(13)16(10-11)8-7-15/h3-6,11-12H,8-10H2,1-2H3/t11-,12+/m1/s1