N-[4-[(4-azanyl-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl)carbamoyl]-3-methyl-phenyl]quinoxaline-2-carboxamide

Systemtic Name: N-[4-[(4-azanyl-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl)carbamoyl]-3-methyl-phenyl]quinoxaline-2-carboxamide Openeye Name: N-[4-[(3-amino-1-benzyl-2-hydroxy-3-oxo-propyl)carbamoyl]-3-methyl-phenyl]quinoxaline-2-carboxamide CAS Name: N-[4-[[(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)amino]-oxomethyl]-3-methylphenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[4-[(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)carbamoyl]-3-methylphenyl]quinoxaline-2-carboxamide Traditional Name: N-[4-[(3-amino-1-benzyl-2-hydroxy-3-keto-propyl)carbamoyl]-3-methyl-phenyl]quinoxaline-2-carboxamide Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)C(=O)NC(CC4=CC=CC=C4)C(C(=O)N)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)C(=O)NC(CC4=CC=CC=C4)C(C(=O)N)O

InChI

InChI=1S/C27H25N5O4/c1-16-13-18(30-27(36)23-15-29-20-9-5-6-10-21(20)31-23)11-12-19(16)26(35)32-22(24(33)25(28)34)14-17-7-3-2-4-8-17/h2-13,15,22,24,33H,14H2,1H3,(H2,28,34)(H,30,36)(H,32,35)