(4S,5S)-7-methoxy-3,5-dimethyl-4-(4-nitrophenyl)-1,2,4,5-tetrahydro-3-benzazepin-8-ol

Systemtic Name: (4S,5S)-7-methoxy-3,5-dimethyl-4-(4-nitrophenyl)-1,2,4,5-tetrahydro-3-benzazepin-8-ol Openeye Name: (4S,5S)-7-methoxy-3,5-dimethyl-4-(4-nitrophenyl)-1,2,4,5-tetrahydro-3-benzazepin-8-ol CAS Name: (4S,5S)-7-methoxy-3,5-dimethyl-4-(4-nitrophenyl)-1,2,4,5-tetrahydro-3-benzazepin-8-ol IUPAC Name: (4S,5S)-7-methoxy-3,5-dimethyl-4-(4-nitrophenyl)-1,2,4,5-tetrahydro-3-benzazepin-8-ol Traditional Name: (4S,5S)-7-methoxy-3,5-dimethyl-4-(4-nitrophenyl)-1,2,4,5-tetrahydro-3-benzazepin-8-ol Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCC2=CC(=C(C=C12)OC)O)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1[C@H](N(CCC2=CC(=C(C=C12)OC)O)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O4/c1-12-16-11-18(25-3)17(22)10-14(16)8-9-20(2)19(12)13-4-6-15(7-5-13)21(23)24/h4-7,10-12,19,22H,8-9H2,1-3H3/t12-,19-/m0/s1