N-(4-ethoxyphenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanamide Openeye Name: N-(4-ethoxyphenyl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]propanamide CAS Name: N-(4-ethoxyphenyl)-2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-ethoxyphenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanamide Traditional Name: 2-[4-(6-nitro-3-pyridyl)piperazino]-N-p-phenetyl-propionamide Formula: C20H25N5O4 MolecularWeight: 399.4436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c1-3-29-18-7-4-16(5-8-18)22-20(26)15(2)23-10-12-24(13-11-23)17-6-9-19(21-14-17)25(27)28/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,26)