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

Systemtic Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C26H30N6O3/c1-3-24-23(18-20-8-5-4-6-9-20)25(28-19(2)27-24)30-14-7-15-31(17-16-30)26(33)29-21-10-12-22(13-11-21)32(34)35/h4-6,8-13H,3,7,14-18H2,1-2H3,(H,29,33)