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

Systemtic Name: N-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C31H33N5O2 MolecularWeight: 507.62602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33N5O2/c1-23-28(22-24-10-5-3-6-11-24)30(34-29(32-23)25-12-7-4-8-13-25)35-18-9-19-36(21-20-35)31(37)33-26-14-16-27(38-2)17-15-26/h3-8,10-17H,9,18-22H2,1-2H3,(H,33,37)