2-(ethylamino)-2-thiophen-2-yl-cyclohexan-1-one; 4-(2-fluorophenyl)-1,3,8-trimethyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-one; dihydrochloride

Systemtic Name: 2-(ethylamino)-2-thiophen-2-yl-cyclohexan-1-one; 4-(2-fluorophenyl)-1,3,8-trimethyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-one; dihydrochloride Openeye Name: 2-(ethylamino)-2-(2-thienyl)cyclohexanone; 4-(2-fluorophenyl)-1,3,8-trimethyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-one; dihydrochloride CAS Name: 2-(ethylamino)-2-thiophen-2-yl-1-cyclohexanone; 4-(2-fluorophenyl)-1,3,8-trimethyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-one; dihydrochloride IUPAC Name: 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one; 4-(2-fluorophenyl)-1,3,8-trimethyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-one; dihydrochloride Traditional Name: 2-(ethylamino)-2-(2-thienyl)cyclohexanone; 4-(2-fluorophenyl)-1,3,8-trimethyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-one; dihydrochloride Formula: C27H34Cl2FN5O2S MolecularWeight: 582.560563

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1(CCCCC1=O)C2=CC=CS2.CC1=NN(C2=C1C(=NCC(=O)N2C)C3=CC=CC=C3F)C.Cl.Cl

Isomeric SMILES

CCNC1(CCCCC1=O)C2=CC=CS2.CC1=NN(C2=C1C(=NCC(=O)N2C)C3=CC=CC=C3F)C.Cl.Cl

InChI

InChI=1S/C15H15FN4O.C12H17NOS.2ClH/c1-9-13-14(10-6-4-5-7-11(10)16)17-8-12(21)19(2)15(13)20(3)18-9;1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14;;/h4-7H,8H2,1-3H3;5,7,9,13H,2-4,6,8H2,1H3;2*1H