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

Systemtic Name: 7-chloranyl-1-(3-ethylpentyl)-5-(2-fluoranylcyclohexyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-(3-ethylpentyl)-5-(2-fluorocyclohexyl)-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-1-(3-ethylpentyl)-5-(2-fluorocyclohexyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-1-(3-ethylpentyl)-5-(2-fluorocyclohexyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-(3-ethylpentyl)-5-(2-fluorocyclohexyl)-3H-1,4-benzodiazepin-2-one Formula: C22H30ClFN2O MolecularWeight: 392.937803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClFN2O/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