5-azanyl-3-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-(4-benzylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 5-amino-3-(4-benzylpiperazin-1-yl)-1H-pyrazole-4-carbonitrile Traditional Name: 5-amino-3-(4-benzylpiperazino)-1H-pyrazole-4-carbonitrile Formula: C15H18N6 MolecularWeight: 282.34362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NNC(=C3C#N)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NNC(=C3C#N)N

InChI

InChI=1S/C15H18N6/c16-10-13-14(17)18-19-15(13)21-8-6-20(7-9-21)11-12-4-2-1-3-5-12/h1-5H,6-9,11H2,(H3,17,18,19)