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

Systemtic Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide Formula: C28H35N5O MolecularWeight: 457.6104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)CC)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)CC)C

InChI

InChI=1S/C28H35N5O/c1-4-23-14-9-10-15-26(23)31-28(34)33-17-11-16-32(18-19-33)27-24(20-22-12-7-6-8-13-22)25(5-2)29-21(3)30-27/h6-10,12-15H,4-5,11,16-20H2,1-3H3,(H,31,34)