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

Systemtic Name: 1-tert-butyl-3-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-(4-p-anisylpiperazino)-3-pyridyl]urea Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H31N5O2/c1-22(2,3)25-21(28)24-18-7-10-20(23-15-18)27-13-11-26(12-14-27)16-17-5-8-19(29-4)9-6-17/h5-10,15H,11-14,16H2,1-4H3,(H2,24,25,28)