N-[4-(1,2-diazinan-3-yl)-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylmethylamino)butanediamide

Systemtic Name: N-[4-(1,2-diazinan-3-yl)-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylmethylamino)butanediamide Openeye Name: N-(1-benzyl-3-hexahydropyridazin-3-yl-2-hydroxy-propyl)-2-(2-quinolylmethylamino)butanediamide CAS Name: N-[4-(3-diazinanyl)-3-hydroxy-1-phenylbutan-2-yl]-2-(2-quinolinylmethylamino)butanediamide IUPAC Name: N-[4-(diazinan-3-yl)-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylmethylamino)butanediamide Traditional Name: N-(1-benzyl-3-hexahydropyridazin-3-yl-2-hydroxy-propyl)-2-(2-quinolylmethylamino)succinamide Formula: C28H36N6O3 MolecularWeight: 504.62384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NNC1)CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NCC3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

C1CC(NNC1)CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NCC3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C28H36N6O3/c29-27(36)17-25(30-18-22-13-12-20-9-4-5-11-23(20)32-22)28(37)33-24(15-19-7-2-1-3-8-19)26(35)16-21-10-6-14-31-34-21/h1-5,7-9,11-13,21,24-26,30-31,34-35H,6,10,14-18H2,(H2,29,36)(H,33,37)