azepan-1-yl-[1-(4-ethoxy-3-nitro-phenyl)carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(4-ethoxy-3-nitro-phenyl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(4-ethoxy-3-nitro-benzoyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[(4-ethoxy-3-nitrophenyl)-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(4-ethoxy-3-nitrobenzoyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(4-ethoxy-3-nitro-benzoyl)-4-piperidyl]methanone Formula: C21H29N3O5 MolecularWeight: 403.47206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O5/c1-2-29-19-8-7-17(15-18(19)24(27)28)21(26)23-13-9-16(10-14-23)20(25)22-11-5-3-4-6-12-22/h7-8,15-16H,2-6,9-14H2,1H3