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

Systemtic Name: N-[2-[[6-[4-(4-butylphenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(4-butylbenzoyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(4-butylphenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(4-butylbenzoyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(4-butylbenzoyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C29H36N6O2 MolecularWeight: 500.63514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)C4=CC=CC=C4)NCCNC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)C4=CC=CC=C4)NCCNC(=O)C

InChI

InChI=1S/C29H36N6O2/c1-3-4-8-23-11-13-25(14-12-23)29(37)35-19-17-34(18-20-35)27-21-26(31-16-15-30-22(2)36)32-28(33-27)24-9-6-5-7-10-24/h5-7,9-14,21H,3-4,8,15-20H2,1-2H3,(H,30,36)(H,31,32,33)