3-[[(6-pyridin-4-yl-1,3-benzothiazol-2-yl)-(2-pyrrolidin-1-ylethyl)amino]methyl]phenol

Systemtic Name: 3-[[(6-pyridin-4-yl-1,3-benzothiazol-2-yl)-(2-pyrrolidin-1-ylethyl)amino]methyl]phenol Openeye Name: 3-[[[6-(4-pyridyl)-1,3-benzothiazol-2-yl]-(2-pyrrolidin-1-ylethyl)amino]methyl]phenol CAS Name: 3-[[(6-pyridin-4-yl-1,3-benzothiazol-2-yl)-[2-(1-pyrrolidinyl)ethyl]amino]methyl]phenol IUPAC Name: 3-[[(6-pyridin-4-yl-1,3-benzothiazol-2-yl)-(2-pyrrolidin-1-ylethyl)amino]methyl]phenol Traditional Name: 3-[[[6-(4-pyridyl)-1,3-benzothiazol-2-yl]-(2-pyrrolidinoethyl)amino]methyl]phenol Formula: C25H26N4OS MolecularWeight: 430.56514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN(CC2=CC(=CC=C2)O)C3=NC4=C(S3)C=C(C=C4)C5=CC=NC=C5

Isomeric SMILES

C1CCN(C1)CCN(CC2=CC(=CC=C2)O)C3=NC4=C(S3)C=C(C=C4)C5=CC=NC=C5

InChI

InChI=1S/C25H26N4OS/c30-22-5-3-4-19(16-22)18-29(15-14-28-12-1-2-13-28)25-27-23-7-6-21(17-24(23)31-25)20-8-10-26-11-9-20/h3-11,16-17,30H,1-2,12-15,18H2