1-[[3-[2-(4-ethanoylpiperazin-1-yl)ethyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[[3-[2-(4-ethanoylpiperazin-1-yl)ethyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[3-[2-(4-acetylpiperazin-1-yl)ethyl]phenyl]methyl]-1-(6-methyl-3-pyridyl)urea CAS Name: 1-[[3-[2-(4-acetyl-1-piperazinyl)ethyl]phenyl]methyl]-1-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[3-[2-(4-acetylpiperazin-1-yl)ethyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-[2-(4-acetylpiperazino)ethyl]benzyl]-1-(6-methyl-3-pyridyl)urea Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)N(CC2=CC=CC(=C2)CCN3CCN(CC3)C(=O)C)C(=O)N

Isomeric SMILES

CC1=NC=C(C=C1)N(CC2=CC=CC(=C2)CCN3CCN(CC3)C(=O)C)C(=O)N

InChI

InChI=1S/C22H29N5O2/c1-17-6-7-21(15-24-17)27(22(23)29)16-20-5-3-4-19(14-20)8-9-25-10-12-26(13-11-25)18(2)28/h3-7,14-15H,8-13,16H2,1-2H3,(H2,23,29)