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

Systemtic Name: 4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(4-isopropylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-p-cumenyl-1,4-diazepane-1-carboxamide Formula: C28H35N5O MolecularWeight: 457.6104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)C(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)C(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N5O/c1-20(2)24-11-13-25(14-12-24)31-28(34)33-16-8-15-32(17-18-33)27-26(21(3)29-22(4)30-27)19-23-9-6-5-7-10-23/h5-7,9-14,20H,8,15-19H2,1-4H3,(H,31,34)