3-[[1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-N-methyl-N-(3-oxidanylidenepropyl)quinoxaline-2-carboxamide

Systemtic Name: 3-[[1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-N-methyl-N-(3-oxidanylidenepropyl)quinoxaline-2-carboxamide Openeye Name: 3-[[1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-N-methyl-N-(3-oxopropyl)quinoxaline-2-carboxamide CAS Name: 3-[(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)amino]-N-methyl-N-(3-oxopropyl)-2-quinoxalinecarboxamide IUPAC Name: 3-[(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)amino]-N-methyl-N-(3-oxopropyl)quinoxaline-2-carboxamide Traditional Name: 3-[[1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-N-(3-ketopropyl)-N-methyl-quinoxaline-2-carboxamide Formula: C27H40N4O4 MolecularWeight: 484.6309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)NC2=NC3=CC=CC=C3N=C2C(=O)N(C)CCC=O)O)O

Isomeric SMILES

CC(C)CC(C(C(CC1CCCCC1)NC2=NC3=CC=CC=C3N=C2C(=O)N(C)CCC=O)O)O

InChI

InChI=1S/C27H40N4O4/c1-18(2)16-23(33)25(34)22(17-19-10-5-4-6-11-19)30-26-24(27(35)31(3)14-9-15-32)28-20-12-7-8-13-21(20)29-26/h7-8,12-13,15,18-19,22-23,25,33-34H,4-6,9-11,14,16-17H2,1-3H3,(H,29,30)