1-[3-methyl-1-oxidanylidene-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pentan-2-yl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[3-methyl-1-oxidanylidene-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pentan-2-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[1-(4-cinnamylpiperazine-1-carbonyl)-2-methyl-butyl]-3-(o-tolyl)urea CAS Name: 1-[3-methyl-1-oxo-1-[4-(3-phenylprop-2-enyl)-1-piperazinyl]pentan-2-yl]-3-(2-methylphenyl)urea IUPAC Name: 1-[3-methyl-1-oxo-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pentan-2-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[1-(4-cinnamylpiperazine-1-carbonyl)-2-methyl-butyl]-3-(o-tolyl)urea Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)CC=CC2=CC=CC=C2)NC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(CC1)CC=CC2=CC=CC=C2)NC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C27H36N4O2/c1-4-21(2)25(29-27(33)28-24-15-9-8-11-22(24)3)26(32)31-19-17-30(18-20-31)16-10-14-23-12-6-5-7-13-23/h5-15,21,25H,4,16-20H2,1-3H3,(H2,28,29,33)