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

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2,4-dimethoxyphenyl)-4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(2,4-dimethoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=C(C=C(C=C3)OC)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=C(C=C(C=C3)OC)OC)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N5O3/c1-19-23(17-21-9-6-5-7-10-21)26(29-20(2)28-19)31-13-8-14-32(16-15-31)27(33)30-24-12-11-22(34-3)18-25(24)35-4/h5-7,9-12,18H,8,13-17H2,1-4H3,(H,30,33)