1-(5-chloranyl-6-methyl-2-pyridin-2-yl-pyrimidin-4-yl)-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(5-chloranyl-6-methyl-2-pyridin-2-yl-pyrimidin-4-yl)-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepane CAS Name: 1-[5-chloro-6-methyl-2-(2-pyridinyl)-4-pyrimidinyl]-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]-4-(2,4-dichlorobenzyl)-1,4-diazepane Formula: C22H22Cl3N5 MolecularWeight: 462.80258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=N2)N3CCCN(CC3)CC4=C(C=C(C=C4)Cl)Cl)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=N2)N3CCCN(CC3)CC4=C(C=C(C=C4)Cl)Cl)Cl

InChI

InChI=1S/C22H22Cl3N5/c1-15-20(25)22(28-21(27-15)19-5-2-3-8-26-19)30-10-4-9-29(11-12-30)14-16-6-7-17(23)13-18(16)24/h2-3,5-8,13H,4,9-12,14H2,1H3