[4-(dimethylamino)-3-nitro-phenyl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone

Systemtic Name: [4-(dimethylamino)-3-nitro-phenyl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone Openeye Name: [4-(dimethylamino)-3-nitro-phenyl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone CAS Name: [4-(dimethylamino)-3-nitrophenyl]-[2-(4-methoxyphenyl)-1-azepanyl]methanone IUPAC Name: [4-(dimethylamino)-3-nitrophenyl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone Traditional Name: [4-(dimethylamino)-3-nitro-phenyl]-[2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-23(2)20-13-10-17(15-21(20)25(27)28)22(26)24-14-6-4-5-7-19(24)16-8-11-18(29-3)12-9-16/h8-13,15,19H,4-7,14H2,1-3H3