2-[4-(3-cyanophenyl)-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]ethanoic acid

Systemtic Name: 2-[4-(3-cyanophenyl)-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]ethanoic acid Openeye Name: 2-[4-(3-cyanophenyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]acetic acid CAS Name: 2-[4-(3-cyanophenyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]acetic acid IUPAC Name: 2-[4-(3-cyanophenyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]acetic acid Traditional Name: 2-[4-(3-cyanophenyl)-2-keto-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]acetic acid Formula: C26H17N3O3 MolecularWeight: 419.43148

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C(=C2)CC(=O)O)C#CC3=CC=CC=C3)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C(=C2)CC(=O)O)C#CC3=CC=CC=C3)NC1=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H17N3O3/c27-16-18-7-4-8-20(11-18)22-15-25(30)29-24-12-19(10-9-17-5-2-1-3-6-17)21(14-26(31)32)13-23(24)28-22/h1-8,11-13H,14-15H2,(H,29,30)(H,31,32)