1-(phenylmethyl)-5-[2-(4-pyrimidin-4-ylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

Systemtic Name: 1-(phenylmethyl)-5-[2-(4-pyrimidin-4-ylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole Openeye Name: 1-benzyl-5-[2-(4-pyrimidin-4-ylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole CAS Name: 1-(phenylmethyl)-5-[2-[4-(4-pyrimidinyl)phenoxy]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole IUPAC Name: 1-benzyl-5-[2-(4-pyrimidin-4-ylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole Traditional Name: 1-benzyl-5-[2-[4-(4-pyrimidyl)phenoxy]ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole Formula: C26H29N3O MolecularWeight: 399.52796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1CC(C2)CCOC3=CC=C(C=C3)C4=NC=NC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C2C1CC(C2)CCOC3=CC=C(C=C3)C4=NC=NC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N3O/c1-2-4-20(5-3-1)18-29-14-11-23-16-21(17-26(23)29)12-15-30-24-8-6-22(7-9-24)25-10-13-27-19-28-25/h1-10,13,19,21,23,26H,11-12,14-18H2