N-(3-chloranyl-2,6-diethyl-phenyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C25H22ClN3O2 MolecularWeight: 431.91408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O2/c1-3-16-14-15-21(26)18(4-2)22(16)27-24(30)23-19-12-8-9-13-20(19)25(31)29(28-23)17-10-6-5-7-11-17/h5-15H,3-4H2,1-2H3,(H,27,30)