N-tert-butyl-4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-tert-butyl-4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-tert-butyl-1,4-diazepane-1-carboxamide CAS Name: N-tert-butyl-4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-N-tert-butyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-tert-butyl-1,4-diazepane-1-carboxamide Formula: C28H35N5O MolecularWeight: 457.6104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC(C)(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC(C)(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N5O/c1-21-24(20-22-12-7-5-8-13-22)26(30-25(29-21)23-14-9-6-10-15-23)32-16-11-17-33(19-18-32)27(34)31-28(2,3)4/h5-10,12-15H,11,16-20H2,1-4H3,(H,31,34)