3-[1-(1,3-benzodioxol-5-ylamino)isoquinolin-5-yl]phenol

Systemtic Name: 3-[1-(1,3-benzodioxol-5-ylamino)isoquinolin-5-yl]phenol Openeye Name: 3-[1-(1,3-benzodioxol-5-ylamino)-5-isoquinolyl]phenol CAS Name: 3-[1-(1,3-benzodioxol-5-ylamino)-5-isoquinolinyl]phenol IUPAC Name: 3-[1-(1,3-benzodioxol-5-ylamino)isoquinolin-5-yl]phenol Traditional Name: 3-[1-(1,3-benzodioxol-5-ylamino)-5-isoquinolyl]phenol Formula: C22H16N2O3 MolecularWeight: 356.37404

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=CC4=C3C=CC=C4C5=CC(=CC=C5)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=CC4=C3C=CC=C4C5=CC(=CC=C5)O

InChI

InChI=1S/C22H16N2O3/c25-16-4-1-3-14(11-16)17-5-2-6-19-18(17)9-10-23-22(19)24-15-7-8-20-21(12-15)27-13-26-20/h1-12,25H,13H2,(H,23,24)