4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O/c1-3-24-23(19-21-11-6-4-7-12-21)25(28-20(2)27-24)30-15-10-16-31(18-17-30)26(32)29-22-13-8-5-9-14-22/h4-9,11-14H,3,10,15-19H2,1-2H3,(H,29,32)