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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(1,3-benzodioxol-5-ylcarbonyl)-2-methyl-3-oxidanylidene-2,4-dihydroquinoxaline-6-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(1,3-benzodioxole-5-carbonyl)-2-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[1,3-benzodioxol-5-yl(oxo)methyl]-2-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(1,3-benzodioxole-5-carbonyl)-2-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-3-keto-2-methyl-1-piperonyloyl-2,4-dihydroquinoxaline-6-carboxamide Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(N1C(=O)C3=CC4=C(C=C3)OCO4)C=CC(=C2)C(=O)NCC5=CC=CC(=C5)CN

Isomeric SMILES

CC1C(=O)NC2=C(N1C(=O)C3=CC4=C(C=C3)OCO4)C=CC(=C2)C(=O)NCC5=CC=CC(=C5)CN

InChI

InChI=1S/C26H24N4O5/c1-15-24(31)29-20-10-18(25(32)28-13-17-4-2-3-16(9-17)12-27)5-7-21(20)30(15)26(33)19-6-8-22-23(11-19)35-14-34-22/h2-11,15H,12-14,27H2,1H3,(H,28,32)(H,29,31)