1-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]-3-(4-chlorophenyl)urea

Systemtic Name: 1-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]-3-(4-chlorophenyl)urea Openeye Name: 1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(4-chlorophenyl)urea CAS Name: 1-[4-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-(4-chlorophenyl)urea IUPAC Name: 1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(4-chlorophenyl)urea Traditional Name: 1-[4-[4-(4-tert-butylbenzoyl)piperazino]phenyl]-3-(4-chlorophenyl)urea Formula: C28H31ClN4O2 MolecularWeight: 491.02434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H31ClN4O2/c1-28(2,3)21-6-4-20(5-7-21)26(34)33-18-16-32(17-19-33)25-14-12-24(13-15-25)31-27(35)30-23-10-8-22(29)9-11-23/h4-15H,16-19H2,1-3H3,(H2,30,31,35)