(5R)-1-(3,4-diethoxyphenyl)-5-ethyl-8-oxidanyl-4-prop-1-ynyl-2,5-dihydro-2,3-benzodiazepin-7-one

Systemtic Name: (5R)-1-(3,4-diethoxyphenyl)-5-ethyl-8-oxidanyl-4-prop-1-ynyl-2,5-dihydro-2,3-benzodiazepin-7-one Openeye Name: (5R)-1-(3,4-diethoxyphenyl)-5-ethyl-8-hydroxy-4-prop-1-ynyl-2,5-dihydro-2,3-benzodiazepin-7-one CAS Name: (5R)-1-(3,4-diethoxyphenyl)-5-ethyl-8-hydroxy-4-prop-1-ynyl-2,5-dihydro-2,3-benzodiazepin-7-one IUPAC Name: (5R)-1-(3,4-diethoxyphenyl)-5-ethyl-8-hydroxy-4-prop-1-ynyl-2,5-dihydro-2,3-benzodiazepin-7-one Traditional Name: (5R)-1-(3,4-diethoxyphenyl)-5-ethyl-8-hydroxy-4-prop-1-ynyl-2,5-dihydro-2,3-benzodiazepin-7-one Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC(=O)C(=CC2=C(NN=C1C#CC)C3=CC(=C(C=C3)OCC)OCC)O

Isomeric SMILES

CC[C@@H]1C2=CC(=O)C(=CC2=C(NN=C1C#CC)C3=CC(=C(C=C3)OCC)OCC)O

InChI

InChI=1S/C24H26N2O4/c1-5-9-19-16(6-2)17-13-20(27)21(28)14-18(17)24(26-25-19)15-10-11-22(29-7-3)23(12-15)30-8-4/h10-14,16,26,28H,6-8H2,1-4H3/t16-/m1/s1