9-[2-(4-chlorophenyl)ethynyl]-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

Systemtic Name: 9-[2-(4-chlorophenyl)ethynyl]-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Openeye Name: 9-[2-(4-chlorophenyl)ethynyl]-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one CAS Name: 9-[2-(4-chlorophenyl)ethynyl]-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one IUPAC Name: 9-[2-(4-chlorophenyl)ethynyl]-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Traditional Name: 9-[2-(4-chlorophenyl)ethynyl]-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Formula: C17H13ClN2O MolecularWeight: 296.75092

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C2=CC=CC(=C2N1)C#CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CNC(=O)C2=CC=CC(=C2N1)C#CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN2O/c18-14-8-5-12(6-9-14)4-7-13-2-1-3-15-16(13)19-10-11-20-17(15)21/h1-3,5-6,8-9,19H,10-11H2,(H,20,21)