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

Systemtic Name: N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(4-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]phthalazine-1-carboxamide Formula: C26H29N5O3 MolecularWeight: 459.54016

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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)OC)C4=NC=CN4C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3/c1-4-5-8-16-31-26(33)21-10-7-6-9-20(21)23(29-31)25(32)28-22(24-27-15-17-30(24)2)18-11-13-19(34-3)14-12-18/h6-7,9-15,17,22H,4-5,8,16H2,1-3H3,(H,28,32)