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

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylphenyl)urea Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(m-tolyl)urea CAS Name: 1-[2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylphenyl)urea Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]-3-(m-tolyl)urea Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-16-4-3-5-18(12-16)24-22(27)23-14-19(26-10-8-25(2)9-11-26)17-6-7-20-21(13-17)29-15-28-20/h3-7,12-13,19H,8-11,14-15H2,1-2H3,(H2,23,24,27)