5-(3-ethoxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile

Systemtic Name: 5-(3-ethoxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile Openeye Name: 5-(3-ethoxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile CAS Name: 5-(3-ethoxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile IUPAC Name: 5-(3-ethoxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile Traditional Name: 1-methyl-5-m-phenetyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2CCOC(C3=C(C2)C=C(C=C3)C#N)C

Isomeric SMILES

CCOC1=CC=CC(=C1)N2CCOC(C3=C(C2)C=C(C=C3)C#N)C

InChI

InChI=1S/C20H22N2O2/c1-3-23-19-6-4-5-18(12-19)22-9-10-24-15(2)20-8-7-16(13-21)11-17(20)14-22/h4-8,11-12,15H,3,9-10,14H2,1-2H3