N-(8-bromanyl-1,5-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-oxidanyl-heptanamide

Systemtic Name: N-(8-bromanyl-1,5-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-oxidanyl-heptanamide Openeye Name: N-(8-bromo-1,5-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxy-heptanamide CAS Name: N-(8-bromo-1,5-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxyheptanamide IUPAC Name: N-(8-bromo-1,5-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxyheptanamide Traditional Name: N-(8-bromo-2-keto-1,5-dimethyl-3H-1,4-benzodiazepin-3-yl)-2-(cyclopropylmethyl)-3-hydroxy-enanthamide Formula: C22H30BrN3O3 MolecularWeight: 464.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=C(C=CC(=C3)Br)C(=N2)C)C)O

Isomeric SMILES

CCCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=C(C=CC(=C3)Br)C(=N2)C)C)O

InChI

InChI=1S/C22H30BrN3O3/c1-4-5-6-19(27)17(11-14-7-8-14)21(28)25-20-22(29)26(3)18-12-15(23)9-10-16(18)13(2)24-20/h9-10,12,14,17,19-20,27H,4-8,11H2,1-3H3,(H,25,28)