N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O/c1-17-15-18(26-9-2-3-10-26)5-6-19(17)24-20(28)16-25-11-13-27(14-12-25)21-22-7-4-8-23-21/h4-8,15H,2-3,9-14,16H2,1H3,(H,24,28)