5-[[(4-aminophenyl)amino]methyl]-2-(phenylmethyl)pyrazole-3,4-diamine

Systemtic Name: 5-[[(4-aminophenyl)amino]methyl]-2-(phenylmethyl)pyrazole-3,4-diamine Openeye Name: 5-[(4-aminoanilino)methyl]-2-benzyl-pyrazole-3,4-diamine CAS Name: 5-[(4-aminoanilino)methyl]-2-(phenylmethyl)pyrazole-3,4-diamine IUPAC Name: 5-[(4-aminoanilino)methyl]-2-benzylpyrazole-3,4-diamine Traditional Name: (4-aminophenyl)-[(4,5-diamino-1-benzyl-pyrazol-3-yl)methyl]amine Formula: C17H20N6 MolecularWeight: 308.3809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=N2)CNC3=CC=C(C=C3)N)N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=N2)CNC3=CC=C(C=C3)N)N)N

InChI

InChI=1S/C17H20N6/c18-13-6-8-14(9-7-13)21-10-15-16(19)17(20)23(22-15)11-12-4-2-1-3-5-12/h1-9,21H,10-11,18-20H2