4-[[5-azanylidene-1-(phenylmethyl)-3-(trifluoromethyl)pyrazol-4-ylidene]amino]-6-methoxy-benzene-1,3-diamine

Systemtic Name: 4-[[5-azanylidene-1-(phenylmethyl)-3-(trifluoromethyl)pyrazol-4-ylidene]amino]-6-methoxy-benzene-1,3-diamine Openeye Name: 4-[[1-benzyl-5-imino-3-(trifluoromethyl)pyrazol-4-ylidene]amino]-6-methoxy-benzene-1,3-diamine CAS Name: 4-[[5-imino-1-(phenylmethyl)-3-(trifluoromethyl)-4-pyrazolylidene]amino]-6-methoxybenzene-1,3-diamine IUPAC Name: 4-[[1-benzyl-5-imino-3-(trifluoromethyl)pyrazol-4-ylidene]amino]-6-methoxybenzene-1,3-diamine Traditional Name: [5-amino-2-[[1-benzyl-5-imino-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]amino]-4-methoxy-phenyl]amine Formula: C18H17F3N6O MolecularWeight: 390.36239

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N=C2C(=NN(C2=N)CC3=CC=CC=C3)C(F)(F)F)N)N

Isomeric SMILES

COC1=C(C=C(C(=C1)N=C2C(=NN(C2=N)CC3=CC=CC=C3)C(F)(F)F)N)N

InChI

InChI=1S/C18H17F3N6O/c1-28-14-8-13(11(22)7-12(14)23)25-15-16(18(19,20)21)26-27(17(15)24)9-10-5-3-2-4-6-10/h2-8,24H,9,22-23H2,1H3