6-methyl-4-oxidanylidene-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyridazine-3-carboxamide

Systemtic Name: 6-methyl-4-oxidanylidene-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyridazine-3-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide CAS Name: 6-methyl-4-oxo-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-1-phenyl-3-pyridazinecarboxamide IUPAC Name: 6-methyl-4-oxo-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyridazine-3-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-4-keto-6-methyl-1-phenyl-pyridazine-3-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C

InChI

InChI=1S/C22H21N5O3/c1-3-13-23-22(30)25-17-11-9-16(10-12-17)24-21(29)20-19(28)14-15(2)27(26-20)18-7-5-4-6-8-18/h3-12,14H,1,13H2,2H3,(H,24,29)(H2,23,25,30)