1-(4-nitrophenyl)-2-[phenyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-[phenyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]ethanone Openeye Name: 1-(4-nitrophenyl)-2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone CAS Name: 1-(4-nitrophenyl)-2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone IUPAC Name: 1-(4-nitrophenyl)-2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone Traditional Name: 1-(4-nitrophenyl)-2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)N(CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CCC(=NCC1)N(CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3/c24-19(16-10-12-18(13-11-16)23(25)26)15-22(17-7-3-1-4-8-17)20-9-5-2-6-14-21-20/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2