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

Systemtic Name: 4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-benzyl-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: 4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-benzyl-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H33N5O2/c1-20-25(18-22-10-12-24(34-3)13-11-22)26(30-21(2)29-20)31-14-7-15-32(17-16-31)27(33)28-19-23-8-5-4-6-9-23/h4-6,8-13H,7,14-19H2,1-3H3,(H,28,33)