5-nitro-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 5-nitro-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazino]-5-nitro-benzonitrile Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)C1=NOC(=N1)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H20N6O3/c1-12(2)17-19-16(26-20-17)11-21-5-7-22(8-6-21)15-4-3-14(23(24)25)9-13(15)10-18/h3-4,9,12H,5-8,11H2,1-2H3