(E)-N-[azanyl-(1H-benzimidazol-2-ylamino)methylidene]-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-N-[azanyl-(1H-benzimidazol-2-ylamino)methylidene]-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-N-[amino-(1H-benzimidazol-2-ylamino)methylene]prop-2-enamide CAS Name: (E)-N-[amino-(1H-benzimidazol-2-ylamino)methylidene]-3-(3-methoxy-4-prop-2-enoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[amino-(1H-benzimidazol-2-ylamino)methylidene]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-N-[amino-(1H-benzimidazol-2-ylamino)methylene]acrylamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N=C(N)NC2=NC3=CC=CC=C3N2)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N=C(N)NC2=NC3=CC=CC=C3N2)OCC=C

InChI

InChI=1S/C21H21N5O3/c1-3-12-29-17-10-8-14(13-18(17)28-2)9-11-19(27)25-20(22)26-21-23-15-6-4-5-7-16(15)24-21/h3-11,13H,1,12H2,2H3,(H4,22,23,24,25,26,27)/b11-9+