4-(2-cyclohexylethanoyl)-7-fluoranyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(2-cyclohexylethanoyl)-7-fluoranyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(2-cyclohexylacetyl)-7-fluoro-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-(2-cyclohexyl-1-oxoethyl)-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(2-cyclohexylacetyl)-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(2-cyclohexylacetyl)-7-fluoro-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C21H23FN2O2S MolecularWeight: 386.482923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)CC(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)F

InChI

InChI=1S/C21H23FN2O2S/c22-15-8-9-17-16(12-15)21(18-7-4-10-27-18)24(13-19(25)23-17)20(26)11-14-5-2-1-3-6-14/h4,7-10,12,14,21H,1-3,5-6,11,13H2,(H,23,25)