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

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone Traditional Name: [4-(3-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=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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