1-butyl-3-[5-tert-butyl-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy]phenyl]urea

Systemtic Name: 1-butyl-3-[5-tert-butyl-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy]phenyl]urea Openeye Name: 1-butyl-3-[5-tert-butyl-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy]phenyl]urea CAS Name: 1-butyl-3-[5-tert-butyl-2-[3-[4-(4-chlorophenyl)-1-piperazinyl]propoxy]phenyl]urea IUPAC Name: 1-butyl-3-[5-tert-butyl-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy]phenyl]urea Traditional Name: 1-butyl-3-[5-tert-butyl-2-[3-[4-(4-chlorophenyl)piperazino]propoxy]phenyl]urea Formula: C28H41ClN4O2 MolecularWeight: 501.10374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(C=CC(=C1)C(C)(C)C)OCCCN2CCN(CC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCNC(=O)NC1=C(C=CC(=C1)C(C)(C)C)OCCCN2CCN(CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C28H41ClN4O2/c1-5-6-14-30-27(34)31-25-21-22(28(2,3)4)8-13-26(25)35-20-7-15-32-16-18-33(19-17-32)24-11-9-23(29)10-12-24/h8-13,21H,5-7,14-20H2,1-4H3,(H2,30,31,34)