azepan-1-yl-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]methanone; ethanedioic acid

Systemtic Name: azepan-1-yl-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]methanone; ethanedioic acid Openeye Name: azepan-1-yl-[1-[(3-nitrophenyl)methyl]-3-piperidyl]methanone; oxalic acid CAS Name: 1-azepanyl-[1-[(3-nitrophenyl)methyl]-3-piperidinyl]methanone; oxalic acid IUPAC Name: azepan-1-yl-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]methanone; oxalic acid Traditional Name: azepan-1-yl-[1-(3-nitrobenzyl)-3-piperidyl]methanone; oxalic acid Formula: C21H29N3O7 MolecularWeight: 435.47086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCCN(C2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCCN(C2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27N3O3.C2H2O4/c23-19(21-11-3-1-2-4-12-21)17-8-6-10-20(15-17)14-16-7-5-9-18(13-16)22(24)25;3-1(4)2(5)6/h5,7,9,13,17H,1-4,6,8,10-12,14-15H2;(H,3,4)(H,5,6)