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

Systemtic Name: [4-(2-chlorophenyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(2-chlorophenyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone CAS Name: [4-(2-chlorophenyl)-1-piperazinyl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(2-chlorophenyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone Traditional Name: [4-(2-chlorophenyl)piperazino]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

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