N-(1-adamantylmethyl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-(1-adamantylmethyl)-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-(1-adamantylmethyl)-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-keto-2H-isoquinoline-3-carboxamide Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C21H24N2O2/c24-19-17-4-2-1-3-16(17)8-18(23-19)20(25)22-12-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,8,13-15H,5-7,9-12H2,(H,22,25)(H,23,24)