N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(4-chlorophenyl)-(1-methyl-2-imidazolyl)methyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-keto-phthalazine-1-carboxamide Formula: C25H26ClN5O2 MolecularWeight: 463.95924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C3=CC=C(C=C3)Cl)C4=NC=CN4C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C3=CC=C(C=C3)Cl)C4=NC=CN4C

InChI

InChI=1S/C25H26ClN5O2/c1-3-4-7-15-31-25(33)20-9-6-5-8-19(20)22(29-31)24(32)28-21(23-27-14-16-30(23)2)17-10-12-18(26)13-11-17/h5-6,8-14,16,21H,3-4,7,15H2,1-2H3,(H,28,32)