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

Systemtic Name: 1-naphthalen-1-yl-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(1-naphthyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-(1-naphthalenyl)-3-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-naphthalen-1-yl-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-(4-caprylylpiperazino)phenyl]-3-(1-naphthyl)urea Formula: C29H36N4O2 MolecularWeight: 472.62174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H36N4O2/c1-2-3-4-5-6-14-28(34)33-21-19-32(20-22-33)25-17-15-24(16-18-25)30-29(35)31-27-13-9-11-23-10-7-8-12-26(23)27/h7-13,15-18H,2-6,14,19-22H2,1H3,(H2,30,31,35)