(2R,3S)-3-azanyl-1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-4-phenyl-butan-2-ol

Systemtic Name: (2R,3S)-3-azanyl-1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-4-phenyl-butan-2-ol Openeye Name: (2R,3S)-3-amino-1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-4-phenyl-butan-2-ol CAS Name: (2R,3S)-3-amino-1-[4-[(4-nitrophenyl)methyl]-1-piperazinyl]-4-phenyl-2-butanol IUPAC Name: (2R,3S)-3-amino-1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-4-phenylbutan-2-ol Traditional Name: (2R,3S)-3-amino-1-[4-(4-nitrobenzyl)piperazino]-4-phenyl-butan-2-ol Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC(C(CC3=CC=CC=C3)N)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])C[C@H]([C@H](CC3=CC=CC=C3)N)O

InChI

InChI=1S/C21H28N4O3/c22-20(14-17-4-2-1-3-5-17)21(26)16-24-12-10-23(11-13-24)15-18-6-8-19(9-7-18)25(27)28/h1-9,20-21,26H,10-16,22H2/t20-,21+/m0/s1