(4,5-dimethoxy-2-nitro-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(4,5-dimethoxy-2-nitro-phenyl)methanone CAS Name: (4,5-dimethoxy-2-nitrophenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(4,5-dimethoxy-2-nitrophenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(4,5-dimethoxy-2-nitro-phenyl)methanone Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O5/c1-28-19-13-17(18(24(26)27)14-20(19)29-2)21(25)23-10-6-9-22(11-12-23)15-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3