(2S)-N-(4-ethoxyphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide

Systemtic Name: (2S)-N-(4-ethoxyphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Openeye Name: (2S)-N-(4-ethoxyphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide CAS Name: (2S)-N-(4-ethoxyphenyl)-2-[4-(2-nitrophenyl)-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(4-ethoxyphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: (2S)-2-[4-(2-nitrophenyl)piperazino]-N-p-phenetyl-propionamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-3-29-18-10-8-17(9-11-18)22-21(26)16(2)23-12-14-24(15-13-23)19-6-4-5-7-20(19)25(27)28/h4-11,16H,3,12-15H2,1-2H3,(H,22,26)/t16-/m0/s1