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

Systemtic Name: 4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-(4-ethylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-N-(4-ethylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-N-(4-ethylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-(4-ethylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-N-(4-ethylphenyl)-1,4-diazepane-1-carboxamide Formula: C29H37N5O MolecularWeight: 471.63698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)C)CC)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)C)CC)C

InChI

InChI=1S/C29H37N5O/c1-5-23-12-14-25(15-13-23)32-29(35)34-17-7-16-33(18-19-34)28-26(27(6-2)30-22(4)31-28)20-24-10-8-21(3)9-11-24/h8-15H,5-7,16-20H2,1-4H3,(H,32,35)