4-[[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methyl-3-nitro-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methyl-3-nitrobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-methyl-3-nitro-benzoyl)piperazino]methyl]benzonitrile Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N4O3/c1-15-18(3-2-4-19(15)24(26)27)20(25)23-11-9-22(10-12-23)14-17-7-5-16(13-21)6-8-17/h2-8H,9-12,14H2,1H3