4-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(1-naphthoyl)piperazino]-3-nitro-benzonitrile Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H18N4O3/c23-15-16-8-9-20(21(14-16)26(28)29)24-10-12-25(13-11-24)22(27)19-7-3-5-17-4-1-2-6-18(17)19/h1-9,14H,10-13H2