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

Systemtic Name: N-(3-cyanophenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3-cyanophenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-cyanophenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(3-cyanophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3-cyanophenyl)-1,4-diazepane-1-carboxamide Formula: C27H30N6O MolecularWeight: 454.5667

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC(=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC(=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N6O/c1-3-25-24(18-21-9-5-4-6-10-21)26(30-20(2)29-25)32-13-8-14-33(16-15-32)27(34)31-23-12-7-11-22(17-23)19-28/h4-7,9-12,17H,3,8,13-16,18H2,1-2H3,(H,31,34)