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

Systemtic Name: 1-tert-butyl-3-[6-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-[4-(2-chlorobenzyl)piperazino]-3-pyridyl]urea Formula: C21H28ClN5O MolecularWeight: 401.93292

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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=C3Cl

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H28ClN5O/c1-21(2,3)25-20(28)24-17-8-9-19(23-14-17)27-12-10-26(11-13-27)15-16-6-4-5-7-18(16)22/h4-9,14H,10-13,15H2,1-3H3,(H2,24,25,28)