N-[5-(4-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-2-(2-methylpropyl)-3-oxidanyl-heptanamide

Systemtic Name: N-[5-(4-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-2-(2-methylpropyl)-3-oxidanyl-heptanamide Openeye Name: N-[5-(4-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-hydroxy-2-isobutyl-heptanamide CAS Name: N-[5-(4-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-hydroxy-2-(2-methylpropyl)heptanamide IUPAC Name: N-[5-(4-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-hydroxy-2-(2-methylpropyl)heptanamide Traditional Name: N-[5-(4-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-hydroxy-2-isobutyl-enanthamide Formula: C27H34FN3O3 MolecularWeight: 467.575563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)F)C)O

Isomeric SMILES

CCCCC(C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)F)C)O

InChI

InChI=1S/C27H34FN3O3/c1-5-6-11-23(32)21(16-17(2)3)26(33)30-25-27(34)31(4)22-10-8-7-9-20(22)24(29-25)18-12-14-19(28)15-13-18/h7-10,12-15,17,21,23,25,32H,5-6,11,16H2,1-4H3,(H,30,33)