4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-isopropyl-6-methyl-2-phenyl-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:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C(C)C

InChI

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