3-nitro-4-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(4-isopropylbenzoyl)piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 3-nitro-4-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-nitro-4-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 4-(4-cumoylpiperazino)-3-nitro-benzonitrile Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-15(2)17-4-6-18(7-5-17)21(26)24-11-9-23(10-12-24)19-8-3-16(14-22)13-20(19)25(27)28/h3-8,13,15H,9-12H2,1-2H3