3-azanyl-5-[[3-(3-phenylazanyl-1H-1,2,4-triazol-5-yl)propylamino]methyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[[3-(3-phenylazanyl-1H-1,2,4-triazol-5-yl)propylamino]methyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[[3-(3-anilino-1H-1,2,4-triazol-5-yl)propylamino]methyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[[3-(3-anilino-1H-1,2,4-triazol-5-yl)propylamino]methyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[[3-(3-anilino-1H-1,2,4-triazol-5-yl)propylamino]methyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[[3-(3-anilino-1H-1,2,4-triazol-5-yl)propylamino]methyl]-1H-pyrazole-4-carbonitrile Formula: C16H19N9 MolecularWeight: 337.38236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NNC(=N2)CCCNCC3=C(C(=NN3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NNC(=N2)CCCNCC3=C(C(=NN3)N)C#N

InChI

InChI=1S/C16H19N9/c17-9-12-13(22-24-15(12)18)10-19-8-4-7-14-21-16(25-23-14)20-11-5-2-1-3-6-11/h1-3,5-6,19H,4,7-8,10H2,(H3,18,22,24)(H2,20,21,23,25)