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

Systemtic Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]urea Openeye Name: 1-(2,6-diisopropylphenyl)-3-[2-methyl-1-(4-octanoylpiperazine-1-carbonyl)butyl]urea CAS Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[3-methyl-1-oxo-1-[4-(1-oxooctyl)-1-piperazinyl]pentan-2-yl]urea IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]urea Traditional Name: 1-[1-(4-caprylylpiperazine-1-carbonyl)-2-methyl-butyl]-3-(2,6-diisopropylphenyl)urea Formula: C31H52N4O3 MolecularWeight: 528.76958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C31H52N4O3/c1-8-10-11-12-13-17-27(36)34-18-20-35(21-19-34)30(37)28(24(7)9-2)32-31(38)33-29-25(22(3)4)15-14-16-26(29)23(5)6/h14-16,22-24,28H,8-13,17-21H2,1-7H3,(H2,32,33,38)