2-bromanyl-4-phenyldiazenyl-aniline; N-(phenylmethyl)pyrazol-1-amine

Systemtic Name: 2-bromanyl-4-phenyldiazenyl-aniline; N-(phenylmethyl)pyrazol-1-amine Openeye Name: N-benzylpyrazol-1-amine; 2-bromo-4-phenylazo-aniline CAS Name: 2-bromo-4-phenyldiazenylaniline; N-(phenylmethyl)-1-pyrazolamine IUPAC Name: N-benzylpyrazol-1-amine; 2-bromo-4-phenyldiazenylaniline Traditional Name: benzyl(pyrazol-1-yl)amine; (2-bromo-4-phenylazo-phenyl)amine Formula: C22H21BrN6 MolecularWeight: 449.34634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNN2C=CC=N2.C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)N)Br

Isomeric SMILES

C1=CC=C(C=C1)CNN2C=CC=N2.C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)N)Br

InChI

InChI=1S/C12H10BrN3.C10H11N3/c13-11-8-10(6-7-12(11)14)16-15-9-4-2-1-3-5-9;1-2-5-10(6-3-1)9-12-13-8-4-7-11-13/h1-8H,14H2;1-8,12H,9H2