1-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[3-nitro-4-(4-p-anisyl-1,4-diazepan-1-yl)phenyl]ethanone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCCN(CC2)CC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCCN(CC2)CC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-16(25)18-6-9-20(21(14-18)24(26)27)23-11-3-10-22(12-13-23)15-17-4-7-19(28-2)8-5-17/h4-9,14H,3,10-13,15H2,1-2H3