2-[methyl-(phenylmethyl)amino]ethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: 2-[methyl-(phenylmethyl)amino]ethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: 2-[benzyl(methyl)amino]ethyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid 2-[methyl-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl(methyl)amino]ethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid 2-[benzyl(methyl)amino]ethyl ester Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC(=N1)C(=O)OCCN(C)CC2=CC=CC=C2)NC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=O)C(=CC(=N1)C(=O)OCCN(C)CC2=CC=CC=C2)NC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C26H27N5O3/c1-3-31-25(32)22(28-24-17-27-16-20-11-7-8-12-21(20)24)15-23(29-31)26(33)34-14-13-30(2)18-19-9-5-4-6-10-19/h4-12,15-17,28H,3,13-14,18H2,1-2H3