N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylbutanoyl)-3-oxidanylidene-2,4-dihydroquinoxaline-6-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylbutanoyl)-3-oxidanylidene-2,4-dihydroquinoxaline-6-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylbutanoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methyl-1-oxobutyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylbutanoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-isovaleryl-3-keto-2,4-dihydroquinoxaline-6-carboxamide Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC(=O)NC2=C1C=CC(=C2)C(=O)NCC3=CC=CC(=C3)CN

Isomeric SMILES

CC(C)CC(=O)N1CC(=O)NC2=C1C=CC(=C2)C(=O)NCC3=CC=CC(=C3)CN

InChI

InChI=1S/C22H26N4O3/c1-14(2)8-21(28)26-13-20(27)25-18-10-17(6-7-19(18)26)22(29)24-12-16-5-3-4-15(9-16)11-23/h3-7,9-10,14H,8,11-13,23H2,1-2H3,(H,24,29)(H,25,27)