N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide

Systemtic Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide Openeye Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-1-ethyl-3-methyl-2-oxo-quinoxaline-6-carboxamide CAS Name: N-[[6-(1-azepanyl)-3-pyridinyl]methyl]-1-ethyl-3-methyl-2-oxo-6-quinoxalinecarboxamide IUPAC Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide Traditional Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-1-ethyl-2-keto-3-methyl-quinoxaline-6-carboxamide Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4CCCCCC4)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4CCCCCC4)N=C(C1=O)C

InChI

InChI=1S/C24H29N5O2/c1-3-29-21-10-9-19(14-20(21)27-17(2)24(29)31)23(30)26-16-18-8-11-22(25-15-18)28-12-6-4-5-7-13-28/h8-11,14-15H,3-7,12-13,16H2,1-2H3,(H,26,30)