1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazino]propan-1-one Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c1-3-21(26)24-13-11-23(12-14-24)18-9-10-20(25(27)28)19(15-18)22-16(2)17-7-5-4-6-8-17/h4-10,15-16,22H,3,11-14H2,1-2H3/t16-/m1/s1