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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCC1=NC(=NN1)NC2=CC=CC=C2)C3=NNC(=C3C#N)N

Isomeric SMILES

CN(CCCCCC1=NC(=NN1)NC2=CC=CC=C2)C3=NNC(=C3C#N)N

InChI

InChI=1S/C18H23N9/c1-27(17-14(12-19)16(20)24-25-17)11-7-3-6-10-15-22-18(26-23-15)21-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H3,20,24,25)(H2,21,22,23,26)