[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone

Systemtic Name: [4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: [4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone CAS Name: [4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone IUPAC Name: [4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: [4-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone Formula: C25H25ClN6O5 MolecularWeight: 524.9562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H25ClN6O5/c1-16-23(12-18-4-6-20(26)7-5-18)24(28-17(2)27-16)29-8-3-9-30(11-10-29)25(33)19-13-21(31(34)35)15-22(14-19)32(36)37/h4-7,13-15H,3,8-12H2,1-2H3