6-methylhept-5-en-2-yl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: 6-methylhept-5-en-2-yl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: 1,5-dimethylhex-4-enyl 4-acetyl-1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-acetyl-1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid 6-methylhept-5-en-2-yl ester IUPAC Name: 6-methylhept-5-en-2-yl 4-acetyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 4-acetyl-1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid 1,5-dimethylhex-4-enyl ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C(=O)OC(C)CCC=C(C)C)C(=O)C)NC2=CN=CC3=CC=CC=C32

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C(=O)OC(C)CCC=C(C)C)C(=O)C)NC2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C26H30N4O4/c1-6-30-25(32)23(28-21-15-27-14-19-12-7-8-13-20(19)21)22(18(5)31)24(29-30)26(33)34-17(4)11-9-10-16(2)3/h7-8,10,12-15,17,28H,6,9,11H2,1-5H3