N-[cyano-(3-phenoxyphenyl)methyl]-2-morpholin-4-ylcarbonyl-1-(phenylmethyl)-1,2-diazinane-3-carboxamide

Systemtic Name: N-[cyano-(3-phenoxyphenyl)methyl]-2-morpholin-4-ylcarbonyl-1-(phenylmethyl)-1,2-diazinane-3-carboxamide Openeye Name: 1-benzyl-N-[cyano-(3-phenoxyphenyl)methyl]-2-(morpholine-4-carbonyl)hexahydropyridazine-3-carboxamide CAS Name: N-[cyano-(3-phenoxyphenyl)methyl]-2-[4-morpholinyl(oxo)methyl]-1-(phenylmethyl)-3-diazinanecarboxamide IUPAC Name: 1-benzyl-N-[cyano-(3-phenoxyphenyl)methyl]-2-(morpholine-4-carbonyl)diazinane-3-carboxamide Traditional Name: 1-benzyl-N-[cyano-(3-phenoxyphenyl)methyl]-2-(morpholine-4-carbonyl)hexahydropyridazine-3-carboxamide Formula: C31H33N5O4 MolecularWeight: 539.62482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(N(C1)CC2=CC=CC=C2)C(=O)N3CCOCC3)C(=O)NC(C#N)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CC(N(N(C1)CC2=CC=CC=C2)C(=O)N3CCOCC3)C(=O)NC(C#N)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C31H33N5O4/c32-22-28(25-11-7-14-27(21-25)40-26-12-5-2-6-13-26)33-30(37)29-15-8-16-35(23-24-9-3-1-4-10-24)36(29)31(38)34-17-19-39-20-18-34/h1-7,9-14,21,28-29H,8,15-20,23H2,(H,33,37)