3-azanyl-4-[5-azanyl-1-(phenylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one

Systemtic Name: 3-azanyl-4-[5-azanyl-1-(phenylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Openeye Name: 3-amino-4-[5-amino-1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one CAS Name: 3-amino-4-[[5-amino-1-(phenylmethyl)-3-(trifluoromethyl)-4-pyrazolyl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 3-amino-4-[5-amino-1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]iminocyclohexa-2,5-dien-1-one Traditional Name: 3-amino-4-[5-amino-1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Formula: C17H14F3N5O MolecularWeight: 361.32117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=N2)C(F)(F)F)N=C3C=CC(=O)C=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=N2)C(F)(F)F)N=C3C=CC(=O)C=C3N)N

InChI

InChI=1S/C17H14F3N5O/c18-17(19,20)15-14(23-13-7-6-11(26)8-12(13)21)16(22)25(24-15)9-10-4-2-1-3-5-10/h1-8H,9,21-22H2