4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(m-tolyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(m-tolyl)-1,4-diazepane-1-carboxamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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