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

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-(4-methylphenyl)urea Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-(p-tolyl)urea CAS Name: 1-[2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-(4-methylphenyl)urea Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]-3-(p-tolyl)urea Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O3/c1-20-7-10-22(11-8-20)29-27(32)28-18-24(21-9-12-25-26(17-21)34-19-33-25)31-15-13-30(14-16-31)23-5-3-2-4-6-23/h2-12,17,24H,13-16,18-19H2,1H3,(H2,28,29,32)