(3R,4S)-N'-isoquinolin-1-ylcarbonyl-3-(4-methoxyphenyl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carbohydrazide

Systemtic Name: (3R,4S)-N'-isoquinolin-1-ylcarbonyl-3-(4-methoxyphenyl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carbohydrazide Openeye Name: (3R,4S)-2-benzyl-N'-(isoquinoline-1-carbonyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbohydrazide CAS Name: (3R,4S)-N'-[1-isoquinolinyl(oxo)methyl]-3-(4-methoxyphenyl)-1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carbohydrazide IUPAC Name: (3R,4S)-2-benzyl-N'-(isoquinoline-1-carbonyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carbohydrazide Traditional Name: (3R,4S)-2-benzyl-N'-(isoquinoline-1-carbonyl)-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carbohydrazide Formula: C34H28N4O4 MolecularWeight: 556.61052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)NNC(=O)C5=NC=CC6=CC=CC=C65

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)NNC(=O)C5=NC=CC6=CC=CC=C65

InChI

InChI=1S/C34H28N4O4/c1-42-25-17-15-24(16-18-25)31-29(32(39)36-37-33(40)30-26-12-6-5-11-23(26)19-20-35-30)27-13-7-8-14-28(27)34(41)38(31)21-22-9-3-2-4-10-22/h2-20,29,31H,21H2,1H3,(H,36,39)(H,37,40)/t29-,31-/m0/s1