2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-(4-p-anisylpiperazino)benzonitrile Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H20N4O3/c1-26-18-5-2-15(3-6-18)14-21-8-10-22(11-9-21)19-7-4-17(23(24)25)12-16(19)13-20/h2-7,12H,8-11,14H2,1H3