N-[2-[[6-[4-(4-cyclohexylphenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(4-cyclohexylphenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(4-cyclohexylphenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(4-cyclohexylbenzoyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C31H38N6O2 MolecularWeight: 526.67242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C31H38N6O2/c1-23(38)32-16-17-33-28-22-29(35-30(34-28)26-10-6-3-7-11-26)36-18-20-37(21-19-36)31(39)27-14-12-25(13-15-27)24-8-4-2-5-9-24/h3,6-7,10-15,22,24H,2,4-5,8-9,16-21H2,1H3,(H,32,38)(H,33,34,35)