1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-urea

Systemtic Name: 1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-urea Openeye Name: 1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-urea CAS Name: 1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]-3-phenylurea IUPAC Name: 1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylurea Traditional Name: 1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]-3-phenyl-urea Formula: C26H28N4O3 MolecularWeight: 444.52552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)NC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)[C@@H](CNC(=O)NC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O3/c31-26(28-21-7-3-1-4-8-21)27-18-23(20-11-12-24-25(17-20)33-19-32-24)30-15-13-29(14-16-30)22-9-5-2-6-10-22/h1-12,17,23H,13-16,18-19H2,(H2,27,28,31)/t23-/m0/s1