(4-chloranyl-3-nitro-phenyl)-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-[4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-chloro-3-nitrophenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-chloro-3-nitro-phenyl)-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C21H26ClN5O3 MolecularWeight: 431.91584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C21H26ClN5O3/c1-13(2)19-14(3)23-15(4)24-20(19)25-8-5-9-26(11-10-25)21(28)16-6-7-17(22)18(12-16)27(29)30/h6-7,12-13H,5,8-11H2,1-4H3