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

Systemtic Name: N-(4-methylphenyl)-4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(p-tolyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-methylphenyl)-4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(p-tolyl)-1,4-diazepane-1-carboxamide Formula: C31H33N5O MolecularWeight: 491.62662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C31H33N5O/c1-23-14-16-27(17-15-23)33-31(37)36-19-9-18-35(20-21-36)30-28(22-25-10-5-3-6-11-25)24(2)32-29(34-30)26-12-7-4-8-13-26/h3-8,10-17H,9,18-22H2,1-2H3,(H,33,37)