N-[(4-morpholin-4-ylphenyl)methyl]-6-oxidanylidene-3-pyridin-4-yl-1H-pyridazine-5-carboxamide

Systemtic Name: N-[(4-morpholin-4-ylphenyl)methyl]-6-oxidanylidene-3-pyridin-4-yl-1H-pyridazine-5-carboxamide Openeye Name: N-[(4-morpholinophenyl)methyl]-6-oxo-3-(4-pyridyl)-1H-pyridazine-5-carboxamide CAS Name: N-[[4-(4-morpholinyl)phenyl]methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide IUPAC Name: N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide Traditional Name: 6-keto-N-(4-morpholinobenzyl)-3-(4-pyridyl)-1H-pyridazine-5-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)CNC(=O)C3=CC(=NNC3=O)C4=CC=NC=C4

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)CNC(=O)C3=CC(=NNC3=O)C4=CC=NC=C4

InChI

InChI=1S/C21H21N5O3/c27-20(18-13-19(24-25-21(18)28)16-5-7-22-8-6-16)23-14-15-1-3-17(4-2-15)26-9-11-29-12-10-26/h1-8,13H,9-12,14H2,(H,23,27)(H,25,28)