N-(3-ethylphenyl)-4-(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-ethylphenyl)-4-(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(3-ethylphenyl)-4-(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(3-ethylphenyl)-4-[6-(1-imidazolyl)-2-methyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-ethylphenyl)-4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(3-ethylphenyl)-4-(6-imidazol-1-yl-2-methyl-pyrimidin-4-yl)piperazine-1-carboxamide Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4C=CN=C4)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4C=CN=C4)C

InChI

InChI=1S/C21H25N7O/c1-3-17-5-4-6-18(13-17)25-21(29)27-11-9-26(10-12-27)19-14-20(24-16(2)23-19)28-8-7-22-15-28/h4-8,13-15H,3,9-12H2,1-2H3,(H,25,29)