(4-heptylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-heptylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (4-heptylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (4-heptylphenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-heptylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (4-heptylphenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H30N4O MolecularWeight: 366.4998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H30N4O/c1-2-3-4-5-6-8-19-9-11-20(12-10-19)21(27)25-15-17-26(18-16-25)22-23-13-7-14-24-22/h7,9-14H,2-6,8,15-18H2,1H3