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

Systemtic Name: N-(3-chlorophenyl)-4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide Formula: C30H30ClN5O MolecularWeight: 512.0451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C30H30ClN5O/c1-22-27(20-23-10-4-2-5-11-23)29(34-28(32-22)24-12-6-3-7-13-24)35-16-9-17-36(19-18-35)30(37)33-26-15-8-14-25(31)21-26/h2-8,10-15,21H,9,16-20H2,1H3,(H,33,37)