[4-(phenylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Openeye Name: (4-benzylpiperazin-1-yl)-(3,4,5-trimethoxy-2-nitro-phenyl)methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(3,4,5-trimethoxy-2-nitrophenyl)methanone Traditional Name: (4-benzylpiperazino)-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H25N3O6/c1-28-17-13-16(18(24(26)27)20(30-3)19(17)29-2)21(25)23-11-9-22(10-12-23)14-15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3