1-(2-methyl-4-nitro-phenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine

Systemtic Name: 1-(2-methyl-4-nitro-phenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine Openeye Name: 1-(2-methyl-4-nitro-phenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine CAS Name: 1-(2-methyl-4-nitrophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine IUPAC Name: 1-(2-methyl-4-nitrophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine Traditional Name: 1-(2-methyl-4-nitro-phenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3CC3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C[C@H]3C[C@@H]3C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2/c1-16-13-19(24(25)26)7-8-21(16)23-11-9-22(10-12-23)15-18-14-20(18)17-5-3-2-4-6-17/h2-8,13,18,20H,9-12,14-15H2,1H3/t18-,20-/m1/s1