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

Systemtic Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-N-(4-ethoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-N-(4-ethoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-N-(4-ethoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-N-(4-ethoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-N-p-phenetyl-1,4-diazepane-1-carboxamide Formula: C32H34ClN5O2 MolecularWeight: 556.09766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)Cl)C)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)Cl)C)C5=CC=CC=C5

InChI

InChI=1S/C32H34ClN5O2/c1-3-40-28-16-14-27(15-17-28)35-32(39)38-19-7-18-37(20-21-38)31-29(22-24-10-12-26(33)13-11-24)23(2)34-30(36-31)25-8-5-4-6-9-25/h4-6,8-17H,3,7,18-22H2,1-2H3,(H,35,39)