1-tert-butyl-3-[6-[4-(phenylcarbonyl)piperazin-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-tert-butyl-3-[6-[4-(phenylcarbonyl)piperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-[6-(4-benzoylpiperazin-1-yl)-3-pyridyl]-3-tert-butyl-urea CAS Name: 1-[6-(4-benzoyl-1-piperazinyl)-3-pyridinyl]-3-tert-butylurea IUPAC Name: 1-[6-(4-benzoylpiperazin-1-yl)pyridin-3-yl]-3-tert-butylurea Traditional Name: 1-[6-(4-benzoylpiperazino)-3-pyridyl]-3-tert-butyl-urea Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2/c1-21(2,3)24-20(28)23-17-9-10-18(22-15-17)25-11-13-26(14-12-25)19(27)16-7-5-4-6-8-16/h4-10,15H,11-14H2,1-3H3,(H2,23,24,28)