N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-2,3-dimethyl-quinoxaline-6-carboxamide

Systemtic Name: N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-2,3-dimethyl-quinoxaline-6-carboxamide Openeye Name: N-[[4-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]methyl]-2,3-dimethyl-quinoxaline-6-carboxamide CAS Name: N-[[4-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]methyl]-2,3-dimethyl-6-quinoxalinecarboxamide IUPAC Name: N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide Traditional Name: N-[4-[(2-amino-2-keto-ethyl)carbamoyl]benzyl]-2,3-dimethyl-quinoxaline-6-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)NCC(=O)N)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)NCC(=O)N)N=C1C

InChI

InChI=1S/C21H21N5O3/c1-12-13(2)26-18-9-16(7-8-17(18)25-12)21(29)23-10-14-3-5-15(6-4-14)20(28)24-11-19(22)27/h3-9H,10-11H2,1-2H3,(H2,22,27)(H,23,29)(H,24,28)