3-[7-(2-methoxyethoxy)-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzamide

Systemtic Name: 3-[7-(2-methoxyethoxy)-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzamide Openeye Name: 3-[7-(2-methoxyethoxy)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzamide CAS Name: 3-[7-(2-methoxyethoxy)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzamide IUPAC Name: 3-[7-(2-methoxyethoxy)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzamide Traditional Name: 3-[2-keto-7-(2-methoxyethoxy)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzamide Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC2=C(C=C1C#CC3=CC=CC=C3)NC(=O)CC(=N2)C4=CC(=CC=C4)C(=O)N

Isomeric SMILES

COCCOC1=CC2=C(C=C1C#CC3=CC=CC=C3)NC(=O)CC(=N2)C4=CC(=CC=C4)C(=O)N

InChI

InChI=1S/C27H23N3O4/c1-33-12-13-34-25-16-24-23(15-20(25)11-10-18-6-3-2-4-7-18)30-26(31)17-22(29-24)19-8-5-9-21(14-19)27(28)32/h2-9,14-16H,12-13,17H2,1H3,(H2,28,32)(H,30,31)