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

Systemtic Name: N-(3-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-(3-cyanophenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-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-(3-cyanophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(3-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=CC(=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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