N-butyl-3-oxidanylidene-1-(3-phenylpropanoyl)-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide

Systemtic Name: N-butyl-3-oxidanylidene-1-(3-phenylpropanoyl)-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide Openeye Name: N-butyl-3-oxo-1-(3-phenylpropanoyl)-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide CAS Name: N-butyl-3-oxo-1-(1-oxo-3-phenylpropyl)-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide IUPAC Name: N-butyl-3-oxo-1-(3-phenylpropanoyl)-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide Traditional Name: N-butyl-1-hydrocinnamoyl-3-keto-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carboxamide Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1C(=O)NC2CCCCC2N1C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1C(=O)NC2CCCCC2N1C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O3/c1-2-3-15-23-21(27)20-22(28)24-17-11-7-8-12-18(17)25(20)19(26)14-13-16-9-5-4-6-10-16/h4-6,9-10,17-18,20H,2-3,7-8,11-15H2,1H3,(H,23,27)(H,24,28)