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

Systemtic Name: 3-azanyl-5-[[1-(3-phenylazanyl-1H-1,2,4-triazol-5-yl)pentylamino]methyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[[1-(3-anilino-1H-1,2,4-triazol-5-yl)pentylamino]methyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[[1-(3-anilino-1H-1,2,4-triazol-5-yl)pentylamino]methyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[[1-(3-anilino-1H-1,2,4-triazol-5-yl)pentylamino]methyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[[1-(3-anilino-1H-1,2,4-triazol-5-yl)pentylamino]methyl]-1H-pyrazole-4-carbonitrile Formula: C18H23N9 MolecularWeight: 365.43552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NC(=NN1)NC2=CC=CC=C2)NCC3=C(C(=NN3)N)C#N

Isomeric SMILES

CCCCC(C1=NC(=NN1)NC2=CC=CC=C2)NCC3=C(C(=NN3)N)C#N

InChI

InChI=1S/C18H23N9/c1-2-3-9-14(21-11-15-13(10-19)16(20)25-24-15)17-23-18(27-26-17)22-12-7-5-4-6-8-12/h4-8,14,21H,2-3,9,11H2,1H3,(H3,20,24,25)(H2,22,23,26,27)