N-[(1R)-1-(1-adamantyl)ethyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-1-keto-2H-isoquinoline-3-carboxamide Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C22H26N2O2/c1-13(22-10-14-6-15(11-22)8-16(7-14)12-22)23-21(26)19-9-17-4-2-3-5-18(17)20(25)24-19/h2-5,9,13-16H,6-8,10-12H2,1H3,(H,23,26)(H,24,25)/t13-,14?,15?,16?,22?/m1/s1