[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-4-nitro-phenyl)methanone

Systemtic Name: [5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-4-nitro-phenyl)methanone Openeye Name: [5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-4-nitro-phenyl)methanone CAS Name: [5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-4-nitrophenyl)methanone IUPAC Name: [5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-4-nitrophenyl)methanone Traditional Name: [5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(3-methoxy-4-nitro-phenyl)methanone Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCCN(C2=CC=CC=C12)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CN(C)C1CCCN(C2=CC=CC=C12)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O4/c1-21(2)16-9-6-12-22(17-8-5-4-7-15(16)17)20(24)14-10-11-18(23(25)26)19(13-14)27-3/h4-5,7-8,10-11,13,16H,6,9,12H2,1-3H3