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

Systemtic Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(2,6-diisopropylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-(4-caprylylpiperazino)phenyl]-3-(2,6-diisopropylphenyl)urea Formula: C31H46N4O2 MolecularWeight: 506.72254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46N4O2/c1-6-7-8-9-10-14-29(36)35-21-19-34(20-22-35)26-17-15-25(16-18-26)32-31(37)33-30-27(23(2)3)12-11-13-28(30)24(4)5/h11-13,15-18,23-24H,6-10,14,19-22H2,1-5H3,(H2,32,33,37)