3-(hydroxymethyl)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-methylpropyl)hexanamide

Systemtic Name: 3-(hydroxymethyl)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-methylpropyl)hexanamide Openeye Name: 3-(hydroxymethyl)-2-isobutyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)hexanamide CAS Name: 3-(hydroxymethyl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-methylpropyl)hexanamide IUPAC Name: 3-(hydroxymethyl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-(2-methylpropyl)hexanamide Traditional Name: 2-isobutyl-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-methylol-hexanamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CO)C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C

Isomeric SMILES

CCCC(CO)C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C

InChI

InChI=1S/C27H35N3O3/c1-5-11-20(17-31)22(16-18(2)3)26(32)29-25-27(33)30(4)23-15-10-9-14-21(23)24(28-25)19-12-7-6-8-13-19/h6-10,12-15,18,20,22,25,31H,5,11,16-17H2,1-4H3,(H,29,32)