2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)-1-piperidyl]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidino]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N4O4/c1-16-18(7-6-8-19(16)25(28)29)22-20(26)15-23-13-9-17(10-14-23)21(27)24-11-4-2-3-5-12-24/h6-8,17H,2-5,9-15H2,1H3,(H,22,26)