7-chloranyl-1-(3-ethylpentyl)-5-(2-fluoranylcyclohexyl)-3H-1,4-benzodiazepin-2-one dihydrochloride

Systemtic Name: 7-chloranyl-1-(3-ethylpentyl)-5-(2-fluoranylcyclohexyl)-3H-1,4-benzodiazepin-2-one dihydrochloride Openeye Name: 7-chloro-1-(3-ethylpentyl)-5-(2-fluorocyclohexyl)-3H-1,4-benzodiazepin-2-one dihydrochloride CAS Name: 7-chloro-1-(3-ethylpentyl)-5-(2-fluorocyclohexyl)-3H-1,4-benzodiazepin-2-one dihydrochloride IUPAC Name: 7-chloro-1-(3-ethylpentyl)-5-(2-fluorocyclohexyl)-3H-1,4-benzodiazepin-2-one dihydrochloride Traditional Name: 7-chloro-1-(3-ethylpentyl)-5-(2-fluorocyclohexyl)-3H-1,4-benzodiazepin-2-one dihydrochloride Formula: C22H32Cl3FN2O MolecularWeight: 465.859683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3CCCCC3F.Cl.Cl

Isomeric SMILES

CCC(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3CCCCC3F.Cl.Cl

InChI

InChI=1S/C22H30ClFN2O.2ClH/c1-3-15(4-2)11-12-26-20-10-9-16(23)13-18(20)22(25-14-21(26)27)17-7-5-6-8-19(17)24;;/h9-10,13,15,17,19H,3-8,11-12,14H2,1-2H3;2*1H