4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(3-ethylphenyl)piperazine-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(3-ethylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(3-ethylphenyl)piperazine-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(3-ethylphenyl)piperazine-1-carboxamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

InChI

InChI=1S/C26H31N5O/c1-4-21-11-8-12-23(17-21)29-26(32)31-15-13-30(14-16-31)25-24(19(2)27-20(3)28-25)18-22-9-6-5-7-10-22/h5-12,17H,4,13-16,18H2,1-3H3,(H,29,32)