N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C22H21ClN6O2 MolecularWeight: 436.89414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C22H21ClN6O2/c1-2-3-6-11-28-22(31)17-8-5-4-7-16(17)20(27-28)21(30)26-18-12-15(23)9-10-19(18)29-14-24-13-25-29/h4-5,7-10,12-14H,2-3,6,11H2,1H3,(H,26,30)