N-[1-(4-ethylphenyl)-2-methyl-propyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[1-(4-ethylphenyl)-2-methyl-propyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-[1-(4-ethylphenyl)-2-methyl-propyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-[1-(4-ethylphenyl)-2-methylpropyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-[1-(4-ethylphenyl)-2-methylpropyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-[1-(4-ethylphenyl)-2-methyl-propyl]-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H29N5O/c1-4-17-6-8-18(9-7-17)19(16(2)3)24-21(27)26-14-12-25(13-15-26)20-22-10-5-11-23-20/h5-11,16,19H,4,12-15H2,1-3H3,(H,24,27)