N-[[3-(aminomethyl)phenyl]methyl]-1-(1,3-benzodioxol-5-ylcarbonyl)-3-oxidanylidene-2,4-dihydroquinoxaline-6-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(1,3-benzodioxol-5-ylcarbonyl)-3-oxidanylidene-2,4-dihydroquinoxaline-6-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(1,3-benzodioxole-5-carbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(1,3-benzodioxole-5-carbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-3-keto-1-piperonyloyl-2,4-dihydroquinoxaline-6-carboxamide Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(N1C(=O)C3=CC4=C(C=C3)OCO4)C=CC(=C2)C(=O)NCC5=CC=CC(=C5)CN

Isomeric SMILES

C1C(=O)NC2=C(N1C(=O)C3=CC4=C(C=C3)OCO4)C=CC(=C2)C(=O)NCC5=CC=CC(=C5)CN

InChI

InChI=1S/C25H22N4O5/c26-11-15-2-1-3-16(8-15)12-27-24(31)17-4-6-20-19(9-17)28-23(30)13-29(20)25(32)18-5-7-21-22(10-18)34-14-33-21/h1-10H,11-14,26H2,(H,27,31)(H,28,30)