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

Systemtic Name: N-[cyano-(3-phenoxyphenyl)methyl]-1-methyl-2-morpholin-4-ylcarbonyl-1,2-diazinane-3-carboxamide Openeye Name: N-[cyano-(3-phenoxyphenyl)methyl]-1-methyl-2-(morpholine-4-carbonyl)hexahydropyridazine-3-carboxamide CAS Name: N-[cyano-(3-phenoxyphenyl)methyl]-1-methyl-2-[4-morpholinyl(oxo)methyl]-3-diazinanecarboxamide IUPAC Name: N-[cyano-(3-phenoxyphenyl)methyl]-1-methyl-2-(morpholine-4-carbonyl)diazinane-3-carboxamide Traditional Name: N-[cyano-(3-phenoxyphenyl)methyl]-1-methyl-2-(morpholine-4-carbonyl)hexahydropyridazine-3-carboxamide Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(N1C(=O)N2CCOCC2)C(=O)NC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1CCCC(N1C(=O)N2CCOCC2)C(=O)NC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O4/c1-28-12-6-11-23(30(28)25(32)29-13-15-33-16-14-29)24(31)27-22(18-26)19-7-5-10-21(17-19)34-20-8-3-2-4-9-20/h2-5,7-10,17,22-23H,6,11-16H2,1H3,(H,27,31)