4-[[(4-chloranylphthalazin-1-yl)amino]methyl]-2,6-bis(pyrrolidin-1-ylmethyl)phenol

Systemtic Name: 4-[[(4-chloranylphthalazin-1-yl)amino]methyl]-2,6-bis(pyrrolidin-1-ylmethyl)phenol Openeye Name: 4-[[(4-chlorophthalazin-1-yl)amino]methyl]-2,6-bis(pyrrolidin-1-ylmethyl)phenol CAS Name: 4-[[(4-chloro-1-phthalazinyl)amino]methyl]-2,6-bis(1-pyrrolidinylmethyl)phenol IUPAC Name: 4-[[(4-chlorophthalazin-1-yl)amino]methyl]-2,6-bis(pyrrolidin-1-ylmethyl)phenol Traditional Name: 4-[[(4-chlorophthalazin-1-yl)amino]methyl]-2,6-bis(pyrrolidinomethyl)phenol Formula: C25H30ClN5O MolecularWeight: 451.9916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CNC4=NN=C(C5=CC=CC=C54)Cl

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CNC4=NN=C(C5=CC=CC=C54)Cl

InChI

InChI=1S/C25H30ClN5O/c26-24-21-7-1-2-8-22(21)25(29-28-24)27-15-18-13-19(16-30-9-3-4-10-30)23(32)20(14-18)17-31-11-5-6-12-31/h1-2,7-8,13-14,32H,3-6,9-12,15-17H2,(H,27,29)