1-(azepan-1-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 1-(azepan-1-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 1-(1-azepanyl)-2-[4-(2-nitrophenyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 1-(azepan-1-yl)-2-[4-(2-nitrophenyl)piperazino]ethanone; oxalic acid Formula: C20H28N4O7 MolecularWeight: 436.45892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N4O3.C2H2O4/c23-18(21-9-5-1-2-6-10-21)15-19-11-13-20(14-12-19)16-7-3-4-8-17(16)22(24)25;3-1(4)2(5)6/h3-4,7-8H,1-2,5-6,9-15H2;(H,3,4)(H,5,6)