N-(3-cyanophenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-cyanophenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(3-cyanophenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-cyanophenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-cyanophenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(3-cyanophenyl)-4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C27H30N6O2 MolecularWeight: 470.5661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O2/c1-19-25(17-21-8-10-24(35-3)11-9-21)26(30-20(2)29-19)32-12-5-13-33(15-14-32)27(34)31-23-7-4-6-22(16-23)18-28/h4,6-11,16H,5,12-15,17H2,1-3H3,(H,31,34)