N-[6-chloranyl-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinolin-5-yl]-2-cyclohexyl-ethanamide

Systemtic Name: N-[6-chloranyl-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinolin-5-yl]-2-cyclohexyl-ethanamide Openeye Name: N-[6-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-quinolyl]-2-cyclohexyl-acetamide CAS Name: N-[6-chloro-2-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5-quinolinyl]-2-cyclohexylacetamide IUPAC Name: N-[6-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinolin-5-yl]-2-cyclohexylacetamide Traditional Name: N-[6-chloro-2-[(3R,5S)-3,5-dimethylpiperazino]-5-quinolyl]-2-cyclohexyl-acetamide Formula: C23H31ClN4O MolecularWeight: 414.97144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=NC3=C(C=C2)C(=C(C=C3)Cl)NC(=O)CC4CCCCC4

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=NC3=C(C=C2)C(=C(C=C3)Cl)NC(=O)CC4CCCCC4

InChI

InChI=1S/C23H31ClN4O/c1-15-13-28(14-16(2)25-15)21-11-8-18-20(26-21)10-9-19(24)23(18)27-22(29)12-17-6-4-3-5-7-17/h8-11,15-17,25H,3-7,12-14H2,1-2H3,(H,27,29)/t15-,16+