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

Systemtic Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[2,6-dimethyl-5-(4-methylbenzyl)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:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)NC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)NC4=CC=CC=C4)C)C

InChI

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