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

Systemtic Name: 9-[2-(4-methoxyphenyl)ethynyl]-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Openeye Name: 9-[2-(4-methoxyphenyl)ethynyl]-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one CAS Name: 9-[2-(4-methoxyphenyl)ethynyl]-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one IUPAC Name: 9-[2-(4-methoxyphenyl)ethynyl]-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Traditional Name: 9-[2-(4-methoxyphenyl)ethynyl]-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=C3C(=CC=C2)C(=O)NCCN3

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=C3C(=CC=C2)C(=O)NCCN3

InChI

InChI=1S/C18H16N2O2/c1-22-15-9-6-13(7-10-15)5-8-14-3-2-4-16-17(14)19-11-12-20-18(16)21/h2-4,6-7,9-10,19H,11-12H2,1H3,(H,20,21)