(E)-3-[2-[(isoquinolin-1-ylamino)methyl]-4-phenyl-phenyl]prop-2-enamide

Systemtic Name: (E)-3-[2-[(isoquinolin-1-ylamino)methyl]-4-phenyl-phenyl]prop-2-enamide Openeye Name: (E)-3-[2-[(1-isoquinolylamino)methyl]-4-phenyl-phenyl]prop-2-enamide CAS Name: (E)-3-[2-[(1-isoquinolinylamino)methyl]-4-phenylphenyl]-2-propenamide IUPAC Name: (E)-3-[2-[(isoquinolin-1-ylamino)methyl]-4-phenylphenyl]prop-2-enamide Traditional Name: (E)-3-[2-[(1-isoquinolylamino)methyl]-4-phenyl-phenyl]acrylamide Formula: C25H21N3O MolecularWeight: 379.45374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2)C=CC(=O)N)CNC3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)/C=C/C(=O)N)CNC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C25H21N3O/c26-24(29)13-12-19-10-11-21(18-6-2-1-3-7-18)16-22(19)17-28-25-23-9-5-4-8-20(23)14-15-27-25/h1-16H,17H2,(H2,26,29)(H,27,28)/b13-12+