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

Systemtic Name: 4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(3,4-dimethylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(3,4-dimethylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-N-(3,4-dimethylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-N-(3,4-dimethylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-N-(3,4-dimethylphenyl)-1,4-diazepane-1-carboxamide Formula: C27H32ClN5O MolecularWeight: 478.02888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32ClN5O/c1-18-6-11-24(16-19(18)2)31-27(34)33-13-5-12-32(14-15-33)26-25(20(3)29-21(4)30-26)17-22-7-9-23(28)10-8-22/h6-11,16H,5,12-15,17H2,1-4H3,(H,31,34)