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

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(3-chloro-2,6-diethyl-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3CC)Cl)CC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3CC)Cl)CC

InChI

InChI=1S/C24H28ClN3O2/c1-4-7-10-15-28-24(30)19-12-9-8-11-18(19)22(27-28)23(29)26-21-16(5-2)13-14-20(25)17(21)6-3/h8-9,11-14H,4-7,10,15H2,1-3H3,(H,26,29)