5-(benzotriazol-1-ylmethylamino)-4-(cyanomethyl)-1-phenyl-pyrazole-3-carbonitrile

Systemtic Name: 5-(benzotriazol-1-ylmethylamino)-4-(cyanomethyl)-1-phenyl-pyrazole-3-carbonitrile Openeye Name: 5-(benzotriazol-1-ylmethylamino)-4-(cyanomethyl)-1-phenyl-pyrazole-3-carbonitrile CAS Name: 5-(1-benzotriazolylmethylamino)-4-(cyanomethyl)-1-phenyl-3-pyrazolecarbonitrile IUPAC Name: 5-(benzotriazol-1-ylmethylamino)-4-(cyanomethyl)-1-phenylpyrazole-3-carbonitrile Traditional Name: 5-(benzotriazol-1-ylmethylamino)-4-(cyanomethyl)-1-phenyl-pyrazole-3-carbonitrile Formula: C19H14N8 MolecularWeight: 354.36806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)C#N)CC#N)NCN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)C#N)CC#N)NCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H14N8/c20-11-10-15-17(12-21)24-27(14-6-2-1-3-7-14)19(15)22-13-26-18-9-5-4-8-16(18)23-25-26/h1-9,22H,10,13H2