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

Systemtic Name: 3-methyl-1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazino]butan-1-one Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O3/c1-17(2)15-23(28)26-13-11-25(12-14-26)20-9-10-22(27(29)30)21(16-20)24-18(3)19-7-5-4-6-8-19/h4-10,16-18,24H,11-15H2,1-3H3/t18-/m1/s1