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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C28H34ClN5O MolecularWeight: 492.05546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34ClN5O/c1-5-26-24(17-22-10-7-19(2)8-11-22)27(31-21(4)30-26)33-13-6-14-34(16-15-33)28(35)32-23-12-9-20(3)25(29)18-23/h7-12,18H,5-6,13-17H2,1-4H3,(H,32,35)