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

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methanone Openeye Name: (2-chloro-4-nitro-phenyl)-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methanone CAS Name: (2-chloro-4-nitrophenyl)-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methanone IUPAC Name: (2-chloro-4-nitrophenyl)-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methanone Traditional Name: (2-chloro-4-nitro-phenyl)-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methanone Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c1-21(2)17-8-5-11-22(18-7-4-3-6-15(17)18)19(24)14-10-9-13(23(25)26)12-16(14)20/h3-4,6-7,9-10,12,17H,5,8,11H2,1-2H3