4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(m-tolyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(m-tolyl)-1,4-diazepane-1-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O/c1-4-25-24(19-22-11-6-5-7-12-22)26(29-21(3)28-25)31-14-9-15-32(17-16-31)27(33)30-23-13-8-10-20(2)18-23/h5-8,10-13,18H,4,9,14-17,19H2,1-3H3,(H,30,33)