[(2S)-2-azanyl-4-methyl-pentanoyl]oxymethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [(2S)-2-azanyl-4-methyl-pentanoyl]oxymethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [(2S)-2-amino-4-methyl-pentanoyl]oxymethyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid [(2S)-2-amino-4-methyl-1-oxopentoxy]methyl ester IUPAC Name: [(2S)-2-amino-4-methylpentanoyl]oxymethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid [(2S)-2-amino-4-methyl-pentanoyl]oxymethyl ester Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC(=N1)C(=O)OCOC(=O)C(CC(C)C)N)NC2=CN=CC3=CC=CC=C32

Isomeric SMILES

CCN1C(=O)C(=CC(=N1)C(=O)OCOC(=O)[C@H](CC(C)C)N)NC2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C23H27N5O5/c1-4-28-21(29)18(26-20-12-25-11-15-7-5-6-8-16(15)20)10-19(27-28)23(31)33-13-32-22(30)17(24)9-14(2)3/h5-8,10-12,14,17,26H,4,9,13,24H2,1-3H3/t17-/m0/s1