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

Systemtic Name: 5-nitro-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(4-isopropylbenzoyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 5-nitro-2-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 2-(4-cumoylpiperazino)-5-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)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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