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

Systemtic Name: N-(2,3-dimethylphenyl)-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2,3-dimethylphenyl)-4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O/c1-19-10-8-13-25(20(19)2)30-27(33)32-15-9-14-31(16-17-32)26-24(21(3)28-22(4)29-26)18-23-11-6-5-7-12-23/h5-8,10-13H,9,14-18H2,1-4H3,(H,30,33)