1-[2,6-di(propan-2-yl)phenyl]-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(2,6-diisopropylphenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-(4-caproylpiperazino)phenyl]-3-(2,6-diisopropylphenyl)urea Formula: C29H42N4O2 MolecularWeight: 478.66938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=C(C=CC=C3C(C)C)C(C)C

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=C(C=CC=C3C(C)C)C(C)C

InChI

InChI=1S/C29H42N4O2/c1-6-7-8-12-27(34)33-19-17-32(18-20-33)24-15-13-23(14-16-24)30-29(35)31-28-25(21(2)3)10-9-11-26(28)22(4)5/h9-11,13-16,21-22H,6-8,12,17-20H2,1-5H3,(H2,30,31,35)