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

Systemtic Name: 4-(3-cyclohexylpropanoyl)-7-fluoranyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(3-cyclohexylpropanoyl)-7-fluoro-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-(3-cyclohexyl-1-oxopropyl)-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(3-cyclohexylpropanoyl)-7-fluoro-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(3-cyclohexylpropanoyl)-7-fluoro-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H25FN2O2S MolecularWeight: 400.509503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O2S/c23-16-9-10-18-17(13-16)22(19-7-4-12-28-19)25(14-20(26)24-18)21(27)11-8-15-5-2-1-3-6-15/h4,7,9-10,12-13,15,22H,1-3,5-6,8,11,14H2,(H,24,26)