N-[(1R,2S)-2-methylcyclohexyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[(1R,2S)-2-methylcyclohexyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[(1R,2S)-2-methylcyclohexyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[(1R,2S)-2-methylcyclohexyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[(1R,2S)-2-methylcyclohexyl]-8-nitroisoquinolin-5-amine Traditional Name: [(1R,2S)-2-methylcyclohexyl]-(8-nitro-5-isoquinolyl)amine Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O2/c1-11-4-2-3-5-14(11)18-15-6-7-16(19(20)21)13-10-17-9-8-12(13)15/h6-11,14,18H,2-5H2,1H3/t11-,14+/m0/s1