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

Systemtic Name: 1-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]-3-(4-cyanophenyl)urea Openeye Name: 1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(4-cyanophenyl)urea CAS Name: 1-[4-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-(4-cyanophenyl)urea IUPAC Name: 1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(4-cyanophenyl)urea Traditional Name: 1-[4-[4-(4-tert-butylbenzoyl)piperazino]phenyl]-3-(4-cyanophenyl)urea Formula: C29H31N5O2 MolecularWeight: 481.58874

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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)C#N

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)C#N

InChI

InChI=1S/C29H31N5O2/c1-29(2,3)23-8-6-22(7-9-23)27(35)34-18-16-33(17-19-34)26-14-12-25(13-15-26)32-28(36)31-24-10-4-21(20-30)5-11-24/h4-15H,16-19H2,1-3H3,(H2,31,32,36)