1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-naphthalen-2-yloxy-propan-2-ol

Systemtic Name: 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-naphthalen-2-yloxy-propan-2-ol Openeye Name: 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-(2-naphthyloxy)propan-2-ol CAS Name: 1-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-3-(2-naphthalenyloxy)-2-propanol IUPAC Name: 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol Traditional Name: 1-[4-(2,6-dipyrrolidinopyrimidin-4-yl)-1,4-diazepan-1-yl]-3-(2-naphthoxy)propan-2-ol Formula: C30H40N6O2 MolecularWeight: 516.6776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCCN(CC4)CC(COC5=CC6=CC=CC=C6C=C5)O

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCCN(CC4)CC(COC5=CC6=CC=CC=C6C=C5)O

InChI

InChI=1S/C30H40N6O2/c37-26(23-38-27-11-10-24-8-1-2-9-25(24)20-27)22-33-12-7-17-35(19-18-33)29-21-28(34-13-3-4-14-34)31-30(32-29)36-15-5-6-16-36/h1-2,8-11,20-21,26,37H,3-7,12-19,22-23H2