N-[(3-chlorophenyl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(3-chlorobenzyl)-4-keto-phthalazine-1-carboxamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2/c1-2-3-6-12-25-21(27)18-11-5-4-10-17(18)19(24-25)20(26)23-14-15-8-7-9-16(22)13-15/h4-5,7-11,13H,2-3,6,12,14H2,1H3,(H,23,26)