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

Systemtic Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-N-(m-tolyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-N-(m-tolyl)-1,4-diazepane-1-carboxamide Formula: C31H32ClN5O MolecularWeight: 526.07168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32ClN5O/c1-22-8-6-11-27(20-22)34-31(38)37-17-7-16-36(18-19-37)30-28(21-24-12-14-26(32)15-13-24)23(2)33-29(35-30)25-9-4-3-5-10-25/h3-6,8-15,20H,7,16-19,21H2,1-2H3,(H,34,38)