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

Systemtic Name: [4-[4-(cyclopropylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-[4-(cyclopropylamino)-3-nitro-benzoyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[4-(cyclopropylamino)-3-nitrobenzoyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[4-(cyclopropylamino)-3-nitro-benzoyl]piperazino]-phenyl-methanone Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c26-20(15-4-2-1-3-5-15)23-10-12-24(13-11-23)21(27)16-6-9-18(22-17-7-8-17)19(14-16)25(28)29/h1-6,9,14,17,22H,7-8,10-13H2