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

Systemtic Name: 4-(3-morpholin-4-ylcarbonylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(morpholine-4-carbonyl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-[4-morpholinyl(oxo)methyl]phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(morpholine-4-carbonyl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(morpholine-4-carbonyl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C28H23N3O3 MolecularWeight: 449.50052

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=CC(=C2)C3=NC4=C(C=C(C=C4)C#CC5=CC=CC=C5)NC(=O)C3

Isomeric SMILES

C1COCCN1C(=O)C2=CC=CC(=C2)C3=NC4=C(C=C(C=C4)C#CC5=CC=CC=C5)NC(=O)C3

InChI

InChI=1S/C28H23N3O3/c32-27-19-25(22-7-4-8-23(18-22)28(33)31-13-15-34-16-14-31)29-24-12-11-21(17-26(24)30-27)10-9-20-5-2-1-3-6-20/h1-8,11-12,17-18H,13-16,19H2,(H,30,32)