1-methyl-5-pyridin-3-yl-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile

Systemtic Name: 1-methyl-5-pyridin-3-yl-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile Openeye Name: 1-methyl-5-(3-pyridyl)-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile CAS Name: 1-methyl-5-(3-pyridinyl)-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile IUPAC Name: 1-methyl-5-pyridin-3-yl-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile Traditional Name: 1-methyl-5-(3-pyridyl)-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CN(CCO1)C3=CN=CC=C3)C=C(C=C2)C#N

Isomeric SMILES

CC1C2=C(CN(CCO1)C3=CN=CC=C3)C=C(C=C2)C#N

InChI

InChI=1S/C17H17N3O/c1-13-17-5-4-14(10-18)9-15(17)12-20(7-8-21-13)16-3-2-6-19-11-16/h2-6,9,11,13H,7-8,12H2,1H3