1-tert-butyl-3-[6-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-tert-butyl-3-[6-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-[4-(4-chlorobenzoyl)piperazino]-3-pyridyl]urea Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN5O2/c1-21(2,3)25-20(29)24-17-8-9-18(23-14-17)26-10-12-27(13-11-26)19(28)15-4-6-16(22)7-5-15/h4-9,14H,10-13H2,1-3H3,(H2,24,25,29)