N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]amino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]amino]-2-keto-ethyl]-piperonylamide Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H22N4O4/c30-23(14-26-25(31)17-10-11-21-22(13-17)33-15-32-21)27-20(12-16-6-2-1-3-7-16)24-28-18-8-4-5-9-19(18)29-24/h1-11,13,20H,12,14-15H2,(H,26,31)(H,27,30)(H,28,29)/t20-/m0/s1