N-(4-tert-butylphenyl)-6-chloranyl-3-(pyridin-4-ylmethylamino)pyridazine-4-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-6-chloranyl-3-(pyridin-4-ylmethylamino)pyridazine-4-carboxamide Openeye Name: N-(4-tert-butylphenyl)-6-chloro-3-(4-pyridylmethylamino)pyridazine-4-carboxamide CAS Name: N-(4-tert-butylphenyl)-6-chloro-3-(pyridin-4-ylmethylamino)-4-pyridazinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-6-chloro-3-(pyridin-4-ylmethylamino)pyridazine-4-carboxamide Traditional Name: N-(4-tert-butylphenyl)-6-chloro-3-(4-pyridylmethylamino)pyridazine-4-carboxamide Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC(=NN=C2NCC3=CC=NC=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC(=NN=C2NCC3=CC=NC=C3)Cl

InChI

InChI=1S/C21H22ClN5O/c1-21(2,3)15-4-6-16(7-5-15)25-20(28)17-12-18(22)26-27-19(17)24-13-14-8-10-23-11-9-14/h4-12H,13H2,1-3H3,(H,24,27)(H,25,28)