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

Systemtic Name: (2S)-N-[(4-methylphenyl)methyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Openeye Name: (2S)-2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(p-tolylmethyl)propanamide CAS Name: (2S)-N-[(4-methylphenyl)methyl]-2-[4-(2-nitrophenyl)-1-piperazinyl]propanamide IUPAC Name: (2S)-N-[(4-methylphenyl)methyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: (2S)-N-(4-methylbenzyl)-2-[4-(2-nitrophenyl)piperazino]propionamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-16-7-9-18(10-8-16)15-22-21(26)17(2)23-11-13-24(14-12-23)19-5-3-4-6-20(19)25(27)28/h3-10,17H,11-15H2,1-2H3,(H,22,26)/t17-/m0/s1