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

Systemtic Name: 5-azanyl-4-[5-azanyl-1-(phenylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]imino-2-methyl-cyclohexa-2,5-dien-1-one Openeye Name: 5-amino-4-[5-amino-1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]imino-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: 5-amino-4-[[5-amino-1-(phenylmethyl)-3-(trifluoromethyl)-4-pyrazolyl]imino]-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: 5-amino-4-[5-amino-1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]imino-2-methylcyclohexa-2,5-dien-1-one Traditional Name: 5-amino-4-[5-amino-1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]imino-2-methyl-cyclohexa-2,5-dien-1-one Formula: C18H16F3N5O MolecularWeight: 375.34775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(N(N=C2C(F)(F)F)CC3=CC=CC=C3)N)C(=CC1=O)N

Isomeric SMILES

CC1=CC(=NC2=C(N(N=C2C(F)(F)F)CC3=CC=CC=C3)N)C(=CC1=O)N

InChI

InChI=1S/C18H16F3N5O/c1-10-7-13(12(22)8-14(10)27)24-15-16(18(19,20)21)25-26(17(15)23)9-11-5-3-2-4-6-11/h2-8H,9,22-23H2,1H3