N-[(4-chlorophenyl)methyl]-7-(oxan-4-ylmethyl)-4-oxidanylidene-pyrimido[1,2-b]pyridazine-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-7-(oxan-4-ylmethyl)-4-oxidanylidene-pyrimido[1,2-b]pyridazine-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-oxo-7-(tetrahydropyran-4-ylmethyl)pyrimido[1,2-b]pyridazine-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-7-(4-oxanylmethyl)-4-oxo-3-pyrimido[1,2-b]pyridazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-7-(oxan-4-ylmethyl)-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-7-(tetrahydropyran-4-ylmethyl)pyrimido[1,2-b]pyridazine-3-carboxamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CC2=NN3C(=NC=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)C=C2

Isomeric SMILES

C1COCCC1CC2=NN3C(=NC=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)C=C2

InChI

InChI=1S/C21H21ClN4O3/c22-16-3-1-15(2-4-16)12-24-20(27)18-13-23-19-6-5-17(25-26(19)21(18)28)11-14-7-9-29-10-8-14/h1-6,13-14H,7-12H2,(H,24,27)