1-[4-(4-bromophenyl)-6-phenyl-pyrimidin-2-yl]azepane

Systemtic Name: 1-[4-(4-bromophenyl)-6-phenyl-pyrimidin-2-yl]azepane Openeye Name: 1-[4-(4-bromophenyl)-6-phenyl-pyrimidin-2-yl]azepane CAS Name: 1-[4-(4-bromophenyl)-6-phenyl-2-pyrimidinyl]azepane IUPAC Name: 1-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]azepane Traditional Name: 1-[4-(4-bromophenyl)-6-phenyl-pyrimidin-2-yl]azepane Formula: C22H22BrN3 MolecularWeight: 408.33418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H22BrN3/c23-19-12-10-18(11-13-19)21-16-20(17-8-4-3-5-9-17)24-22(25-21)26-14-6-1-2-7-15-26/h3-5,8-13,16H,1-2,6-7,14-15H2