[[1-(4-chlorophenyl)-2-(5-morpholin-4-yl-1,2,3,4-tetrazol-2-yl)ethylidene]amino] 4-(trifluoromethyl)benzoate

Systemtic Name: [[1-(4-chlorophenyl)-2-(5-morpholin-4-yl-1,2,3,4-tetrazol-2-yl)ethylidene]amino] 4-(trifluoromethyl)benzoate Openeye Name: [[1-(4-chlorophenyl)-2-(5-morpholinotetrazol-2-yl)ethylidene]amino] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [[1-(4-chlorophenyl)-2-[5-(4-morpholinyl)-2-tetrazolyl]ethylidene]amino] ester IUPAC Name: [[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [[1-(4-chlorophenyl)-2-(5-morpholinotetrazol-2-yl)ethylidene]amino] ester Formula: C21H18ClF3N6O3 MolecularWeight: 494.85423

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN(N=N2)CC(=NOC(=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1C2=NN(N=N2)CC(=NOC(=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClF3N6O3/c22-17-7-3-14(4-8-17)18(13-31-27-20(26-29-31)30-9-11-33-12-10-30)28-34-19(32)15-1-5-16(6-2-15)21(23,24)25/h1-8H,9-13H2