2-methoxy-9-oxidanyl-4-prop-2-ynyl-2,3-dihydro-1H-1,4-benzodiazepin-5-one; 9-oxidanyl-4-prop-2-ynyl-3H-1,4-benzodiazepin-5-one

Systemtic Name: 2-methoxy-9-oxidanyl-4-prop-2-ynyl-2,3-dihydro-1H-1,4-benzodiazepin-5-one; 9-oxidanyl-4-prop-2-ynyl-3H-1,4-benzodiazepin-5-one Openeye Name: 9-hydroxy-2-methoxy-4-prop-2-ynyl-2,3-dihydro-1H-1,4-benzodiazepin-5-one; 9-hydroxy-4-prop-2-ynyl-3H-1,4-benzodiazepin-5-one CAS Name: 9-hydroxy-2-methoxy-4-prop-2-ynyl-2,3-dihydro-1H-1,4-benzodiazepin-5-one; 9-hydroxy-4-prop-2-ynyl-3H-1,4-benzodiazepin-5-one IUPAC Name: 9-hydroxy-2-methoxy-4-prop-2-ynyl-2,3-dihydro-1H-1,4-benzodiazepin-5-one; 9-hydroxy-4-prop-2-ynyl-3H-1,4-benzodiazepin-5-one Traditional Name: 9-hydroxy-2-methoxy-4-propargyl-2,3-dihydro-1H-1,4-benzodiazepin-5-one; 9-hydroxy-4-propargyl-3H-1,4-benzodiazepin-5-one Formula: C25H24N4O5 MolecularWeight: 460.48186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CN(C(=O)C2=C(N1)C(=CC=C2)O)CC#C.C#CCN1CC=NC2=C(C1=O)C=CC=C2O

Isomeric SMILES

COC1CN(C(=O)C2=C(N1)C(=CC=C2)O)CC#C.C#CCN1CC=NC2=C(C1=O)C=CC=C2O

InChI

InChI=1S/C13H14N2O3.C12H10N2O2/c1-3-7-15-8-11(18-2)14-12-9(13(15)17)5-4-6-10(12)16;1-2-7-14-8-6-13-11-9(12(14)16)4-3-5-10(11)15/h1,4-6,11,14,16H,7-8H2,2H3;1,3-6,15H,7-8H2