4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]-N-[(2S)-2-phenylbutyl]benzamide

Systemtic Name: 4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]-N-[(2S)-2-phenylbutyl]benzamide Openeye Name: 4-(4,5-dichloro-6-oxo-pyridazin-1-yl)-N-[(2S)-2-phenylbutyl]benzamide CAS Name: 4-(4,5-dichloro-6-oxo-1-pyridazinyl)-N-[(2S)-2-phenylbutyl]benzamide IUPAC Name: 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2S)-2-phenylbutyl]benzamide Traditional Name: 4-(4,5-dichloro-6-keto-pyridazin-1-yl)-N-[(2S)-2-phenylbutyl]benzamide Formula: C21H19Cl2N3O2 MolecularWeight: 416.30046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H19Cl2N3O2/c1-2-14(15-6-4-3-5-7-15)12-24-20(27)16-8-10-17(11-9-16)26-21(28)19(23)18(22)13-25-26/h3-11,13-14H,2,12H2,1H3,(H,24,27)/t14-/m1/s1