2-(4-chlorophenyl)-1-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chlorophenyl)-1-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-chlorophenyl)-1-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 2-(4-chlorophenyl)-1-[4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-chlorophenyl)-1-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 2-(4-chlorophenyl)-1-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazino]ethanone Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O3/c22-16-3-1-15(2-4-16)13-21(27)25-11-9-24(10-12-25)18-7-8-20(26(28)29)19(14-18)23-17-5-6-17/h1-4,7-8,14,17,23H,5-6,9-13H2