(2-methoxy-5-nitro-phenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methoxy-5-nitro-phenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (2-methoxy-5-nitro-phenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (2-methoxy-5-nitrophenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (2-methoxy-5-nitrophenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (2-methoxy-5-nitro-phenyl)-(4-p-anisyl-1,4-diazepan-1-yl)methanone Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O5/c1-28-18-7-4-16(5-8-18)15-22-10-3-11-23(13-12-22)21(25)19-14-17(24(26)27)6-9-20(19)29-2/h4-9,14H,3,10-13,15H2,1-2H3