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

Systemtic Name: [2-(4-methoxyphenyl)azepan-1-yl]-[4-(methylamino)-3-nitro-phenyl]methanone Openeye Name: [2-(4-methoxyphenyl)azepan-1-yl]-[4-(methylamino)-3-nitro-phenyl]methanone CAS Name: [2-(4-methoxyphenyl)-1-azepanyl]-[4-(methylamino)-3-nitrophenyl]methanone IUPAC Name: [2-(4-methoxyphenyl)azepan-1-yl]-[4-(methylamino)-3-nitrophenyl]methanone Traditional Name: [2-(4-methoxyphenyl)azepan-1-yl]-[4-(methylamino)-3-nitro-phenyl]methanone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-22-18-12-9-16(14-20(18)24(26)27)21(25)23-13-5-3-4-6-19(23)15-7-10-17(28-2)11-8-15/h7-12,14,19,22H,3-6,13H2,1-2H3