3-[7-(1,3-dioxolan-4-yloxy)-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[7-(1,3-dioxolan-4-yloxy)-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[7-(1,3-dioxolan-4-yloxy)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[7-(1,3-dioxolan-4-yloxy)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[7-(1,3-dioxolan-4-yloxy)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[7-(1,3-dioxolan-4-yloxy)-2-keto-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C27H19N3O4 MolecularWeight: 449.45746

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCO1)OC2=CC3=C(C=C2C#CC4=CC=CC=C4)NC(=O)CC(=N3)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1C(OCO1)OC2=CC3=C(C=C2C#CC4=CC=CC=C4)NC(=O)CC(=N3)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C27H19N3O4/c28-15-19-7-4-8-20(11-19)22-14-26(31)30-23-12-21(10-9-18-5-2-1-3-6-18)25(13-24(23)29-22)34-27-16-32-17-33-27/h1-8,11-13,27H,14,16-17H2,(H,30,31)