2-chloranyl-3-[[4-(hydroxymethyl)cyclohexyl]methylamino]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[[4-(hydroxymethyl)cyclohexyl]methylamino]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[[4-(hydroxymethyl)cyclohexyl]methylamino]naphthalene-1,4-dione CAS Name: 2-chloro-3-[[4-(hydroxymethyl)cyclohexyl]methylamino]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[[4-(hydroxymethyl)cyclohexyl]methylamino]naphthalene-1,4-dione Traditional Name: 2-chloro-3-[(4-methylolcyclohexyl)methylamino]-1,4-naphthoquinone Formula: C18H20ClNO3 MolecularWeight: 333.8093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)CO

Isomeric SMILES

C1CC(CCC1CNC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)CO

InChI

InChI=1S/C18H20ClNO3/c19-15-16(20-9-11-5-7-12(10-21)8-6-11)18(23)14-4-2-1-3-13(14)17(15)22/h1-4,11-12,20-21H,5-10H2