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

Systemtic Name: N-(4-cyanophenyl)-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-(4-cyanophenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(4-cyanophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(4-cyanophenyl)-1,4-diazepane-1-carboxamide Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6O/c1-19-24(17-21-7-4-3-5-8-21)25(29-20(2)28-19)31-13-6-14-32(16-15-31)26(33)30-23-11-9-22(18-27)10-12-23/h3-5,7-12H,6,13-17H2,1-2H3,(H,30,33)