N-[(2S)-1-(butylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-3-oxidanylidene-2,4-dihydroquinoxaline-1-carboxamide

Systemtic Name: N-[(2S)-1-(butylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-3-oxidanylidene-2,4-dihydroquinoxaline-1-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(butylamino)-2-oxo-ethyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide CAS Name: N-[(2S)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide IUPAC Name: N-[(2S)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-(butylamino)-2-keto-ethyl]-3-keto-2,4-dihydroquinoxaline-1-carboxamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CCCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C22H26N4O3/c1-2-3-13-23-21(28)18(14-16-9-5-4-6-10-16)25-22(29)26-15-20(27)24-17-11-7-8-12-19(17)26/h4-12,18H,2-3,13-15H2,1H3,(H,23,28)(H,24,27)(H,25,29)/t18-/m0/s1