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

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: 2-[[2-(3,5-dimethylphenoxy)-1-oxoethyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC(C)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC(C)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C)C

InChI

InChI=1S/C29H30N4O4/c1-18-14-19(2)16-22(15-18)37-17-25(34)30-20(3)28(35)32-27-29(36)33(4)24-13-9-8-12-23(24)26(31-27)21-10-6-5-7-11-21/h5-16,20,27H,17H2,1-4H3,(H,30,34)(H,32,35)