(E)-N-(2-aminophenyl)-3-[6-(3-imidazol-1-ylpropylamino)pyridin-3-yl]prop-2-enamide

Systemtic Name: (E)-N-(2-aminophenyl)-3-[6-(3-imidazol-1-ylpropylamino)pyridin-3-yl]prop-2-enamide Openeye Name: (E)-N-(2-aminophenyl)-3-[6-(3-imidazol-1-ylpropylamino)-3-pyridyl]prop-2-enamide CAS Name: (E)-N-(2-aminophenyl)-3-[6-[3-(1-imidazolyl)propylamino]-3-pyridinyl]-2-propenamide IUPAC Name: (E)-N-(2-aminophenyl)-3-[6-(3-imidazol-1-ylpropylamino)pyridin-3-yl]prop-2-enamide Traditional Name: (E)-N-(2-aminophenyl)-3-[6-(3-imidazol-1-ylpropylamino)-3-pyridyl]acrylamide Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C=CC2=CN=C(C=C2)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)/C=C/C2=CN=C(C=C2)NCCCN3C=CN=C3

InChI

InChI=1S/C20H22N6O/c21-17-4-1-2-5-18(17)25-20(27)9-7-16-6-8-19(24-14-16)23-10-3-12-26-13-11-22-15-26/h1-2,4-9,11,13-15H,3,10,12,21H2,(H,23,24)(H,25,27)/b9-7+