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

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-chloro-3-nitrophenyl)-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-chloro-3-nitro-phenyl)-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C26H28ClN5O3 MolecularWeight: 493.98522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN5O3/c1-17(2)23-18(3)28-24(19-8-5-4-6-9-19)29-25(23)30-12-7-13-31(15-14-30)26(33)20-10-11-21(27)22(16-20)32(34)35/h4-6,8-11,16-17H,7,12-15H2,1-3H3