(5Z)-2-(1-adamantylmethylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-imidazol-4-one

Systemtic Name: (5Z)-2-(1-adamantylmethylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-imidazol-4-one Openeye Name: (5Z)-2-(1-adamantylmethylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-1H-imidazol-4-one CAS Name: (5Z)-2-(1-adamantylmethylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-imidazol-4-one IUPAC Name: (5Z)-2-(1-adamantylmethylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-imidazol-4-one Traditional Name: (5Z)-2-(1-adamantylmethylamino)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-2-imidazolin-4-one Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC4=NC(=O)C(=CC5=CNC6=C5C=CC=N6)N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC4=NC(=O)/C(=C/C5=CNC6=C5C=CC=N6)/N4

InChI

InChI=1S/C22H25N5O/c28-20-18(7-16-11-24-19-17(16)2-1-3-23-19)26-21(27-20)25-12-22-8-13-4-14(9-22)6-15(5-13)10-22/h1-3,7,11,13-15H,4-6,8-10,12H2,(H,23,24)(H2,25,26,27,28)/b18-7-