1-tert-butyl-3-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-tert-butyl-3-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-[(2-hydroxyphenyl)methyl]-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-(4-salicylpiperazino)-3-pyridyl]urea Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3O

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3O

InChI

InChI=1S/C21H29N5O2/c1-21(2,3)24-20(28)23-17-8-9-19(22-14-17)26-12-10-25(11-13-26)15-16-6-4-5-7-18(16)27/h4-9,14,27H,10-13,15H2,1-3H3,(H2,23,24,28)