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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C29H28N4O5 MolecularWeight: 512.55642

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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)CCC4=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)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H28N4O5/c1-18(30-25(34)15-13-19-12-14-23-24(16-19)38-17-37-23)28(35)32-27-29(36)33(2)22-11-7-6-10-21(22)26(31-27)20-8-4-3-5-9-20/h3-12,14,16,18,27H,13,15,17H2,1-2H3,(H,30,34)(H,32,35)