3-(4-methylpyridin-2-yl)-1-phenyl-1-[1-(4-phenylpiperazin-1-yl)cyclohexyl]urea

Systemtic Name: 3-(4-methylpyridin-2-yl)-1-phenyl-1-[1-(4-phenylpiperazin-1-yl)cyclohexyl]urea Openeye Name: 3-(4-methyl-2-pyridyl)-1-phenyl-1-[1-(4-phenylpiperazin-1-yl)cyclohexyl]urea CAS Name: 3-(4-methyl-2-pyridinyl)-1-phenyl-1-[1-(4-phenyl-1-piperazinyl)cyclohexyl]urea IUPAC Name: 3-(4-methylpyridin-2-yl)-1-phenyl-1-[1-(4-phenylpiperazin-1-yl)cyclohexyl]urea Traditional Name: 3-(4-methyl-2-pyridyl)-1-phenyl-1-[1-(4-phenylpiperazino)cyclohexyl]urea Formula: C29H35N5O MolecularWeight: 469.6211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)N(C2=CC=CC=C2)C3(CCCCC3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)N(C2=CC=CC=C2)C3(CCCCC3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H35N5O/c1-24-15-18-30-27(23-24)31-28(35)34(26-13-7-3-8-14-26)29(16-9-4-10-17-29)33-21-19-32(20-22-33)25-11-5-2-6-12-25/h2-3,5-8,11-15,18,23H,4,9-10,16-17,19-22H2,1H3,(H,30,31,35)