[(2S,6S)-2,6-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [(2S,6S)-2,6-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [(2S,6S)-4-benzyl-2,6-dimethyl-piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [(2S,6S)-2,6-dimethyl-4-(phenylmethyl)-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [(2S,6S)-4-benzyl-2,6-dimethylpiperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [(2S,6S)-4-benzyl-2,6-dimethyl-piperazino]-(4-nitrophenyl)methanone Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CN(C[C@@H](N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3/c1-15-12-21(14-17-6-4-3-5-7-17)13-16(2)22(15)20(24)18-8-10-19(11-9-18)23(25)26/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m0/s1