(5S)-1-(3,4-diethoxyphenyl)-5-ethyl-4-ethynyl-8-oxidanyl-2,5-dihydro-2,3-benzodiazepin-7-one

Systemtic Name: (5S)-1-(3,4-diethoxyphenyl)-5-ethyl-4-ethynyl-8-oxidanyl-2,5-dihydro-2,3-benzodiazepin-7-one Openeye Name: (5S)-1-(3,4-diethoxyphenyl)-5-ethyl-4-ethynyl-8-hydroxy-2,5-dihydro-2,3-benzodiazepin-7-one CAS Name: (5S)-1-(3,4-diethoxyphenyl)-5-ethyl-4-ethynyl-8-hydroxy-2,5-dihydro-2,3-benzodiazepin-7-one IUPAC Name: (5S)-1-(3,4-diethoxyphenyl)-5-ethyl-4-ethynyl-8-hydroxy-2,5-dihydro-2,3-benzodiazepin-7-one Traditional Name: (5S)-1-(3,4-diethoxyphenyl)-5-ethyl-4-ethynyl-8-hydroxy-2,5-dihydro-2,3-benzodiazepin-7-one Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O4/c1-5-15-16-12-19(26)20(27)13-17(16)23(25-24-18(15)6-2)14-9-10-21(28-7-3)22(11-14)29-8-4/h2,9-13,15,25,27H,5,7-8H2,1,3-4H3/t15-/m0/s1