5-(3-ethoxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-7-carbonitrile

Systemtic Name: 5-(3-ethoxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-7-carbonitrile Openeye Name: 5-(3-ethoxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-7-carbonitrile CAS Name: 5-(3-ethoxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-7-carbonitrile IUPAC Name: 5-(3-ethoxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-7-carbonitrile Traditional Name: 1-methyl-5-m-phenetyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-7-carbonitrile Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2CCOC(C3=CC=CC(=C3C2)C#N)C

Isomeric SMILES

CCOC1=CC=CC(=C1)N2CCOC(C3=CC=CC(=C3C2)C#N)C

InChI

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