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

Systemtic Name: N-tert-butyl-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-tert-butyl-1,4-diazepane-1-carboxamide CAS Name: N-tert-butyl-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-tert-butyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-tert-butyl-1,4-diazepane-1-carboxamide Formula: C24H35N5O MolecularWeight: 409.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H35N5O/c1-6-21-20(17-19-11-8-7-9-12-19)22(26-18(2)25-21)28-13-10-14-29(16-15-28)23(30)27-24(3,4)5/h7-9,11-12H,6,10,13-17H2,1-5H3,(H,27,30)