methyl 3-[3-[[4-azanyl-4-oxidanylidene-2-(quinolin-2-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-1,4-dihydrophthalazine-2-carboxylate

Systemtic Name: methyl 3-[3-[[4-azanyl-4-oxidanylidene-2-(quinolin-2-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-1,4-dihydrophthalazine-2-carboxylate Openeye Name: methyl 3-[3-[[4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-1,4-dihydrophthalazine-2-carboxylate CAS Name: 3-[3-[[4-amino-1,4-dioxo-2-[[oxo(2-quinolinyl)methyl]amino]butyl]amino]-2-hydroxy-4-phenylbutyl]-1,4-dihydrophthalazine-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[[4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]-1,4-dihydrophthalazine-2-carboxylate Traditional Name: 3-[3-[[4-amino-4-keto-2-(quinaldoylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-1,4-dihydrophthalazine-2-carboxylic acid methyl ester Formula: C34H36N6O6 MolecularWeight: 624.68624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC2=CC=CC=C2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

Isomeric SMILES

COC(=O)N1CC2=CC=CC=C2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C34H36N6O6/c1-46-34(45)40-20-25-13-6-5-12-24(25)19-39(40)21-30(41)28(17-22-9-3-2-4-10-22)37-33(44)29(18-31(35)42)38-32(43)27-16-15-23-11-7-8-14-26(23)36-27/h2-16,28-30,41H,17-21H2,1H3,(H2,35,42)(H,37,44)(H,38,43)