N-[(1S)-1-cyclohexylethyl]-1-ethyl-6-nitro-pyrazolo[3,4-b]quinolin-4-amine

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-1-ethyl-6-nitro-pyrazolo[3,4-b]quinolin-4-amine Openeye Name: N-[(1S)-1-cyclohexylethyl]-1-ethyl-6-nitro-pyrazolo[3,4-b]quinolin-4-amine CAS Name: N-[(1S)-1-cyclohexylethyl]-1-ethyl-6-nitro-4-pyrazolo[3,4-b]quinolinamine IUPAC Name: N-[(1S)-1-cyclohexylethyl]-1-ethyl-6-nitropyrazolo[3,4-b]quinolin-4-amine Traditional Name: [(1S)-1-cyclohexylethyl]-(1-ethyl-6-nitro-pyrazolo[3,4-b]quinolin-4-yl)amine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=C2C=N1)NC(C)C4CCCCC4

Isomeric SMILES

CCN1C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=C2C=N1)N[C@@H](C)C4CCCCC4

InChI

InChI=1S/C20H25N5O2/c1-3-24-20-17(12-21-24)19(22-13(2)14-7-5-4-6-8-14)16-11-15(25(26)27)9-10-18(16)23-20/h9-14H,3-8H2,1-2H3,(H,22,23)/t13-/m0/s1