3-hexyl-4-oxidanylidene-N-(1-propylbenzimidazol-2-yl)phthalazine-1-carboxamide

Systemtic Name: 3-hexyl-4-oxidanylidene-N-(1-propylbenzimidazol-2-yl)phthalazine-1-carboxamide Openeye Name: 3-hexyl-4-oxo-N-(1-propylbenzimidazol-2-yl)phthalazine-1-carboxamide CAS Name: 3-hexyl-4-oxo-N-(1-propyl-2-benzimidazolyl)-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-4-oxo-N-(1-propylbenzimidazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-(1-propylbenzimidazol-2-yl)phthalazine-1-carboxamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=CC=CC=C4N3CCC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=CC=CC=C4N3CCC

InChI

InChI=1S/C25H29N5O2/c1-3-5-6-11-17-30-24(32)19-13-8-7-12-18(19)22(28-30)23(31)27-25-26-20-14-9-10-15-21(20)29(25)16-4-2/h7-10,12-15H,3-6,11,16-17H2,1-2H3,(H,26,27,31)