1-(4-azanyl-4-oxidanylidene-butan-2-yl)-N-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-3-(4-nitrophenyl)-6-oxidanylidene-pyrazine-2-carboxamide

Systemtic Name: 1-(4-azanyl-4-oxidanylidene-butan-2-yl)-N-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-3-(4-nitrophenyl)-6-oxidanylidene-pyrazine-2-carboxamide Openeye Name: 1-(3-amino-1-methyl-3-oxo-propyl)-N-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-3-(4-nitrophenyl)-6-oxo-pyrazine-2-carboxamide CAS Name: 1-(4-amino-4-oxobutan-2-yl)-N-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-3-(4-nitrophenyl)-6-oxo-2-pyrazinecarboxamide IUPAC Name: 1-(4-amino-4-oxobutan-2-yl)-N-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-3-(4-nitrophenyl)-6-oxopyrazine-2-carboxamide Traditional Name: 1-(3-amino-3-keto-1-methyl-propyl)-N-cyclohexyl-5-(4-hydroxybenzyl)-6-keto-3-(4-nitrophenyl)pyrazinamide Formula: C28H31N5O6 MolecularWeight: 533.57564

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N)N1C(=C(N=C(C1=O)CC2=CC=C(C=C2)O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4CCCCC4

Isomeric SMILES

CC(CC(=O)N)N1C(=C(N=C(C1=O)CC2=CC=C(C=C2)O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4CCCCC4

InChI

InChI=1S/C28H31N5O6/c1-17(15-24(29)35)32-26(27(36)30-20-5-3-2-4-6-20)25(19-9-11-21(12-10-19)33(38)39)31-23(28(32)37)16-18-7-13-22(34)14-8-18/h7-14,17,20,34H,2-6,15-16H2,1H3,(H2,29,35)(H,30,36)