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

Systemtic Name: 4-(3-methoxyphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-(3-methoxyphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-(3-methoxyphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-(3-methoxyphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-(3-methoxyphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C24H18N2O2 MolecularWeight: 366.41192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)C#CC4=CC=CC=C4)NC(=O)C2

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)C#CC4=CC=CC=C4)NC(=O)C2

InChI

InChI=1S/C24H18N2O2/c1-28-20-9-5-8-19(15-20)22-16-24(27)26-23-14-18(12-13-21(23)25-22)11-10-17-6-3-2-4-7-17/h2-9,12-15H,16H2,1H3,(H,26,27)