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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]amino]-N-(1-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-(2-keto-1-methyl-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C28H28N4O5 MolecularWeight: 500.54572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(N1)C3=CC=CC=C3)C)NC(=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(N1)C3=CC=CC=C3)C)NC(=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H28N4O5/c1-17(29-24(33)15-18-12-13-22-23(14-18)37-16-36-22)27(34)31-26-28(35)32(2)21-11-7-6-10-20(21)25(30-26)19-8-4-3-5-9-19/h3-14,17,25-26,30H,15-16H2,1-2H3,(H,29,33)(H,31,34)