N-[(2,4-dichlorophenyl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(2,4-dichlorobenzyl)-4-keto-phthalazine-1-carboxamide Formula: C21H21Cl2N3O2 MolecularWeight: 418.31634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O2/c1-2-3-6-11-26-21(28)17-8-5-4-7-16(17)19(25-26)20(27)24-13-14-9-10-15(22)12-18(14)23/h4-5,7-10,12H,2-3,6,11,13H2,1H3,(H,24,27)