4-chloranyl-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-chloro-N-[(1S)-2-methyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 4-chloro-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]benzamide IUPAC Name: 4-chloro-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide Traditional Name: 4-chloro-N-[(1S)-2-methyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4O4/c1-15(2)20(24-21(28)16-3-5-17(23)6-4-16)22(29)26-13-11-25(12-14-26)18-7-9-19(10-8-18)27(30)31/h3-10,15,20H,11-14H2,1-2H3,(H,24,28)/t20-/m0/s1