N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-[4-[(1S)-1-methylpropyl]phenyl]-2-[4-(4-nitrophenyl)piperazino]acetamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-3-17(2)18-4-6-19(7-5-18)23-22(27)16-24-12-14-25(15-13-24)20-8-10-21(11-9-20)26(28)29/h4-11,17H,3,12-16H2,1-2H3,(H,23,27)/t17-/m0/s1