8-(2-phenylethynyl)-4-pyridin-4-yl-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 8-(2-phenylethynyl)-4-pyridin-4-yl-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-(2-phenylethynyl)-4-(4-pyridyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-(2-phenylethynyl)-4-pyridin-4-yl-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-(2-phenylethynyl)-4-pyridin-4-yl-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-(2-phenylethynyl)-4-(4-pyridyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C22H15N3O MolecularWeight: 337.374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15N3O/c26-22-15-20(18-10-12-23-13-11-18)24-19-9-8-17(14-21(19)25-22)7-6-16-4-2-1-3-5-16/h1-5,8-14H,15H2,(H,25,26)