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

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(4-phenyl-1-piperazinyl)ethyl]urea IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea Traditional Name: 1-homopiperonyl-3-[2-(4-phenylpiperazino)ethyl]urea Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)NCCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC(=O)NCCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O3/c27-22(23-9-8-18-6-7-20-21(16-18)29-17-28-20)24-10-11-25-12-14-26(15-13-25)19-4-2-1-3-5-19/h1-7,16H,8-15,17H2,(H2,23,24,27)