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

Systemtic Name: N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[4-[(1-methyl-2-imidazolyl)-oxomethyl]phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[4-(1-methylimidazole-2-carbonyl)phenyl]phthalazine-1-carboxamide Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C(=O)C4=NC=CN4C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C(=O)C4=NC=CN4C

InChI

InChI=1S/C25H25N5O3/c1-3-4-7-15-30-25(33)20-9-6-5-8-19(20)21(28-30)24(32)27-18-12-10-17(11-13-18)22(31)23-26-14-16-29(23)2/h5-6,8-14,16H,3-4,7,15H2,1-2H3,(H,27,32)