N-[1-[2-[2-(4-methyl-1H-benzimidazol-2-yl)ethylamino]-2-oxidanylidene-ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-[2-[2-(4-methyl-1H-benzimidazol-2-yl)ethylamino]-2-oxidanylidene-ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-[2-[2-(4-methyl-1H-benzimidazol-2-yl)ethylamino]-2-oxo-ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-[2-[2-(4-methyl-1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-4-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-[2-[2-(4-methyl-1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-[2-keto-2-[2-(4-methyl-1H-benzimidazol-2-yl)ethylamino]ethyl]pyrazol-4-yl]-piperonylamide Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC(=N2)CCNC(=O)CN3C=C(C=N3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C2C(=CC=C1)NC(=N2)CCNC(=O)CN3C=C(C=N3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N6O4/c1-14-3-2-4-17-22(14)28-20(27-17)7-8-24-21(30)12-29-11-16(10-25-29)26-23(31)15-5-6-18-19(9-15)33-13-32-18/h2-6,9-11H,7-8,12-13H2,1H3,(H,24,30)(H,26,31)(H,27,28)