6-methyl-4-oxidanylidene-N-[3-(4-phenylpiperazin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

Systemtic Name: 6-methyl-4-oxidanylidene-N-[3-(4-phenylpiperazin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Openeye Name: 6-methyl-4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide CAS Name: 6-methyl-4-oxo-N-[3-(4-phenyl-1-piperazinyl)propyl]-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxamide IUPAC Name: 6-methyl-4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Traditional Name: 4-keto-6-methyl-N-[3-(4-phenylpiperazino)propyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Formula: C26H28F3N5O2 MolecularWeight: 499.52803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H28F3N5O2/c1-19-17-23(35)24(31-34(19)22-10-5-7-20(18-22)26(27,28)29)25(36)30-11-6-12-32-13-15-33(16-14-32)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,36)