2-chloranyl-3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]naphthalene-1,4-dione CAS Name: 2-chloro-3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]naphthalene-1,4-dione Traditional Name: 2-chloro-3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1,4-naphthoquinone Formula: C18H20ClNO2 MolecularWeight: 317.8099

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C18H20ClNO2/c1-10-6-5-9-14(11(10)2)20-16-15(19)17(21)12-7-3-4-8-13(12)18(16)22/h3-4,7-8,10-11,14,20H,5-6,9H2,1-2H3/t10-,11+,14+/m0/s1