1-[4-(4-octanoylpiperazin-1-yl)phenyl]-3-phenyl-urea

Systemtic Name: 1-[4-(4-octanoylpiperazin-1-yl)phenyl]-3-phenyl-urea Openeye Name: 1-[4-(4-octanoylpiperazin-1-yl)phenyl]-3-phenyl-urea CAS Name: 1-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]-3-phenylurea IUPAC Name: 1-[4-(4-octanoylpiperazin-1-yl)phenyl]-3-phenylurea Traditional Name: 1-[4-(4-caprylylpiperazino)phenyl]-3-phenyl-urea Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2/c1-2-3-4-5-9-12-24(30)29-19-17-28(18-20-29)23-15-13-22(14-16-23)27-25(31)26-21-10-7-6-8-11-21/h6-8,10-11,13-16H,2-5,9,12,17-20H2,1H3,(H2,26,27,31)