5-(aziridin-1-yl)-2-cyclohexyl-3-(hydroxymethyl)-1-methyl-indole-4,7-dione

Systemtic Name: 5-(aziridin-1-yl)-2-cyclohexyl-3-(hydroxymethyl)-1-methyl-indole-4,7-dione Openeye Name: 5-(aziridin-1-yl)-2-cyclohexyl-3-(hydroxymethyl)-1-methyl-indole-4,7-dione CAS Name: 5-(1-aziridinyl)-2-cyclohexyl-3-(hydroxymethyl)-1-methylindole-4,7-dione IUPAC Name: 5-(aziridin-1-yl)-2-cyclohexyl-3-(hydroxymethyl)-1-methylindole-4,7-dione Traditional Name: 2-cyclohexyl-5-ethylenimino-1-methyl-3-methylol-indole-4,7-quinone Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)C4CCCCC4

Isomeric SMILES

CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)C4CCCCC4

InChI

InChI=1S/C18H22N2O3/c1-19-16(11-5-3-2-4-6-11)12(10-21)15-17(19)14(22)9-13(18(15)23)20-7-8-20/h9,11,21H,2-8,10H2,1H3