2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]oxazole CAS Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methyl]oxazole IUPAC Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methyl]oxazole Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)CN4CCCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)CN4CCCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C21H22ClN5O3/c1-14-17(12-26-6-3-7-27(9-8-26)21-23-4-2-5-24-21)25-20(30-14)15-10-18-19(11-16(15)22)29-13-28-18/h2,4-5,10-11H,3,6-9,12-13H2,1H3