(2S,5R)-8-methoxy-7-(methoxymethoxy)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-2-carbonitrile

Systemtic Name: (2S,5R)-8-methoxy-7-(methoxymethoxy)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-2-carbonitrile Openeye Name: (2S,5R)-8-methoxy-7-(methoxymethoxy)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-2-carbonitrile CAS Name: (2S,5R)-8-methoxy-7-(methoxymethoxy)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-2-carbonitrile IUPAC Name: (2S,5R)-8-methoxy-7-(methoxymethoxy)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-2-carbonitrile Traditional Name: (2S,5R)-8-methoxy-7-(methoxymethoxy)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-2-carbonitrile Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=CC(=C(C=C2CC1C#N)OC)OCOC)C3=CC=CC=C3

Isomeric SMILES

CN1C[C@@H](C2=CC(=C(C=C2C[C@H]1C#N)OC)OCOC)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-23-13-19(15-7-5-4-6-8-15)18-11-21(26-14-24-2)20(25-3)10-16(18)9-17(23)12-22/h4-8,10-11,17,19H,9,13-14H2,1-3H3/t17-,19+/m0/s1