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

Systemtic Name: 4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-benzyl-4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O/c1-20-24(18-22-10-5-3-6-11-22)25(29-21(2)28-20)30-14-9-15-31(17-16-30)26(32)27-19-23-12-7-4-8-13-23/h3-8,10-13H,9,14-19H2,1-2H3,(H,27,32)