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

Systemtic Name: (4-chlorophenyl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (4-chlorophenyl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-chlorophenyl)-[4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-chlorophenyl)-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (4-chlorophenyl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazino]methanone Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3/c21-15-3-1-14(2-4-15)20(26)24-11-9-23(10-12-24)17-7-8-19(25(27)28)18(13-17)22-16-5-6-16/h1-4,7-8,13,16,22H,5-6,9-12H2