N-(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-2-[2-(3-fluorophenyl)ethanoylamino]propanamide

Systemtic Name: N-(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-2-[2-(3-fluorophenyl)ethanoylamino]propanamide Openeye Name: N-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide CAS Name: N-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-[[2-(3-fluorophenyl)-1-oxoethyl]amino]propanamide IUPAC Name: N-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-[[2-(3-fluorophenyl)acetyl]amino]propanamide Traditional Name: N-(5-cyclohexyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)-2-[[2-(3-fluorophenyl)acetyl]amino]propionamide Formula: C27H31FN4O3 MolecularWeight: 478.558443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)C)NC(=O)CC4=CC(=CC=C4)F

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCCC3)C)NC(=O)CC4=CC(=CC=C4)F

InChI

InChI=1S/C27H31FN4O3/c1-17(29-23(33)16-18-9-8-12-20(28)15-18)26(34)31-25-27(35)32(2)22-14-7-6-13-21(22)24(30-25)19-10-4-3-5-11-19/h6-9,12-15,17,19,25H,3-5,10-11,16H2,1-2H3,(H,29,33)(H,31,34)