N-[(1R)-1-(1-adamantyl)ethyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-8-nitroisoquinolin-5-amine Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(8-nitro-5-isoquinolyl)amine Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O2/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)23-19-2-3-20(24(25)26)18-12-22-5-4-17(18)19/h2-5,12-16,23H,6-11H2,1H3/t13-,14?,15?,16?,21?/m1/s1