N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-5-methyl-N-phenethyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-5-methyl-N-phenethyl-pyrazine-2-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]-5-methyl-N-phenethyl-pyrazine-2-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-5-methyl-N-phenethyl-2-pyrazinecarboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-5-methyl-N-phenethylpyrazine-2-carboxamide Traditional Name: N-[3-keto-3-(piperonylamino)propyl]-5-methyl-N-phenethyl-pyrazinamide Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N(CCC2=CC=CC=C2)CCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC2=CC=CC=C2)CCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H26N4O4/c1-18-14-27-21(16-26-18)25(31)29(11-9-19-5-3-2-4-6-19)12-10-24(30)28-15-20-7-8-22-23(13-20)33-17-32-22/h2-8,13-14,16H,9-12,15,17H2,1H3,(H,28,30)