4-oxidanylidene-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-3-pentyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pentyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pentyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C21H21N5O3/c1-2-3-6-11-26-20(28)15-8-5-4-7-14(15)18(25-26)19(27)22-13-9-10-16-17(12-13)24-21(29)23-16/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,22,27)(H2,23,24,29)